(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol

C178H272N12O12 — CID 167632615

IUPAC(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol
SMILESC#Cc1cnn(C[C@@](C)(O)[C@H]2CCC[C@H]3[C@@H]4CC[C@@H]5C[C@@](O)(CC)CC[C@@H]5[C@H]4CC[C@@]32C)c1.C#Cc1cnn(C[C@@](C)(O)[C@H]2CCC[C@H]3[C@@H]4CC[C@@H]5C[C@@](O)(CCC)CC[C@@H]5[C@H]4CC[C@@]32C)c1.C#Cc1cnn(C[C@@](C)(O)[C@H]2CCC[C@H]3[C@@H]4CC[C@H]5C[C@@](O)(CCC)CC[C@@H]5[C@H]4CC[C@@]32C)c1.C#Cc1cnn(C[C@](C)(O)[C@H]2CCC[C@H]3[C@@H]4CC[C@@H]5C[C@@](O)(CC)CC[C@@H]5[C@H]4CC[C@@]32C)c1.C#Cc1cnn(C[C@](C)(O)[C@H]2CCC[C@H]3[C@@H]4CC[C@@H]5C[C@@](O)(CCC)CC[C@@H]5[C@H]4CC[C@@]32C)c1.C#Cc1cnn(C[C@](C)(O)[C@H]2CCC[C@H]3[C@@H]4CC[C@H]5C[C@@](O)(CCC)CC[C@@H]5[C@H]4CC[C@@]32C)c1
InChIInChI=1S/4C30H46N2O2.2C29H44N2O2/c4*1-5-14-30(34)16-13-23-22(17-30)10-11-25-24(23)12-15-28(3)26(25)8-7-9-27(28)29(4,33)20-32-19-21(6-2)18-31-32;2*1-5-20-17-30-31(18-20)19-28(4,32)26-9-7-8-25-24-11-10-21-16-29(33,6-2)15-13-22(21)23(24)12-14-27(25,26)3/h4*2,18-19,22-27,33-34H,5,7-17,20H2,1,3-4H3;2*1,17-18,21-26,32-33H,6-16,19H2,2-4H3/t22-,23+,24-,25-,26+,27+,28+,29+,30-;22-,23+,24-,25-,26+,27+,28+,29-,30-;22-,23-,24+,25+,26-,27-,28-,29+,30+;22-,23-,24+,25+,26-,27-,28-,29-,30+;21-,22+,23-,24-,25+,26+,27+,28+,29-;21-,22+,23-,24-,25+,26+,27+,28-,29-/m110011/s1
InChIKeyOACUZYIPMLEPGC-DHFZPOHDSA-N
MW2772.21 g/mol
LogP34.05
Rot. Bonds28

About (2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol

(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol (PubChem CID 167632615) has the molecular formula C178H272N12O12 and a molecular weight of 2772.21 g/mol. Its IUPAC name is (2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol.

Molecular Properties

Compound Name(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol
PubChem CID167632615
Molecular FormulaC178H272N12O12
Molecular Weight2772.21 g/mol
Exact Mass2770.10
IUPAC Name(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol
SMILESC#Cc1cnn(C[C@@](C)(O)[C@H]2CCC[C@H]3[C@@H]4CC[C@@H]5C[C@@](O)(CC)CC[C@@H]5[C@H]4CC[C@@]32C)c1.C#Cc1cnn(C[C@@](C)(O)[C@H]2CCC[C@H]3[C@@H]4CC[C@@H]5C[C@@](O)(CCC)CC[C@@H]5[C@H]4CC[C@@]32C)c1.C#Cc1cnn(C[C@@](C)(O)[C@H]2CCC[C@H]3[C@@H]4CC[C@H]5C[C@@](O)(CCC)CC[C@@H]5[C@H]4CC[C@@]32C)c1.C#Cc1cnn(C[C@](C)(O)[C@H]2CCC[C@H]3[C@@H]4CC[C@@H]5C[C@@](O)(CC)CC[C@@H]5[C@H]4CC[C@@]32C)c1.C#Cc1cnn(C[C@](C)(O)[C@H]2CCC[C@H]3[C@@H]4CC[C@@H]5C[C@@](O)(CCC)CC[C@@H]5[C@H]4CC[C@@]32C)c1.C#Cc1cnn(C[C@](C)(O)[C@H]2CCC[C@H]3[C@@H]4CC[C@H]5C[C@@](O)(CCC)CC[C@@H]5[C@H]4CC[C@@]32C)c1
InChIInChI=1S/4C30H46N2O2.2C29H44N2O2/c4*1-5-14-30(34)16-13-23-22(17-30)10-11-25-24(23)12-15-28(3)26(25)8-7-9-27(28)29(4,33)20-32-19-21(6-2)18-31-32;2*1-5-20-17-30-31(18-20)19-28(4,32)26-9-7-8-25-24-11-10-21-16-29(33,6-2)15-13-22(21)23(24)12-14-27(25,26)3/h4*2,18-19,22-27,33-34H,5,7-17,20H2,1,3-4H3;2*1,17-18,21-26,32-33H,6-16,19H2,2-4H3/t22-,23+,24-,25-,26+,27+,28+,29+,30-;22-,23+,24-,25-,26+,27+,28+,29-,30-;22-,23-,24+,25+,26-,27-,28-,29+,30+;22-,23-,24+,25+,26-,27-,28-,29-,30+;21-,22+,23-,24-,25+,26+,27+,28+,29-;21-,22+,23-,24-,25+,26+,27+,28-,29-/m110011/s1
InChIKeyOACUZYIPMLEPGC-DHFZPOHDSA-N
XLogP34.05
TPSA349.68 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002772.21
LogP ≤ 534.05
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze (2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol with MolForge

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Related Compounds

1-[2-[(1S,4aS,4bR,6aS,8R,10aS,10bS,12aS)-8-hydroxy-10a,12a-dimethyl-8-propyl-2,3,4,4a,4b,5,6,6a,7,9,10,10b,11,12-tetradecahydro-1H-chrysen-1-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile
CID 155437848
(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5R,8R,9R,10S,13S,14S,17S)-2-ethyl-17-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;1-[(2S)-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-10-ethyl-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile;1-[(2R)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-hydroxy-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile;1-[(2S)-2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-3-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxypropyl]pyrazole-4-carbonitrile
CID 157062163
(2R,4aS,4bR,6aS,7S,9S,10R,10aS,10bR,12aR)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-2,6a,9,10-tetramethyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol
CID 167552373
1-[(2R)-2-hydroxy-2-[(3S,5S,8R,9R,10S,13S,14S)-13-methyl-3-propyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile
CID 155350102
1-[(2R)-2-hydroxy-2-[(3S,5S,8R,9R,10S,13S,14S,17S)-13-methyl-3-propyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile
CID 155350095
1-[2-[(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-13-methyl-3-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile
CID 170276367
1-[(2S)-2-[(3R,5R,8R,9R,10S,13S,14S)-3-hydroxy-3-(methoxymethyl)-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methoxypropyl]pyrazole-4-carbonitrile
CID 170229553
1-[(2S)-2-[(1S,4aS,4bR,6aR,8R,10aS,10bS,12aS)-8-hydroxy-8,10a,12a-trimethyl-2,3,4,4a,4b,5,6,6a,7,9,10,10b,11,12-tetradecahydro-1H-chrysen-1-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile
CID 155438696
1-[2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3-(methoxymethyl)-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylpropyl]pyrazole-4-carbonitrile
CID 155339645
1-[(2S)-2-[(1S,4bR,8S,10aS,12aS)-4,8,12a-trimethyl-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12-hexadecahydro-1H-chrysen-1-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile
CID 155752348
1-[(2S)-2-[(3R,5R,8R,9R,10S,13S,14S,17R)-3-butyl-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]pyrazole-4-carbonitrile
CID 167349881
1-[(2R)-2-[(3R,5R,8S,9S,10S,13S,14S)-10-ethyl-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxypropyl]pyrazole-4-carbonitrile
CID 155349988

Frequently Asked Questions

What is the IUPAC name of (2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol?
The IUPAC name of (2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol (CID 167632615) is (2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol.
What is the SMILES notation for (2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol?
The canonical SMILES for (2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol is C#Cc1cnn(C[C@@](C)(O)[C@H]2CCC[C@H]3[C@@H]4CC[C@@H]5C[C@@](O)(CC)CC[C@@H]5[C@H]4CC[C@@]32C)c1.C#Cc1cnn(C[C@@](C)(O)[C@H]2CCC[C@H]3[C@@H]4CC[C@@H]5C[C@@](O)(CCC)CC[C@@H]5[C@H]4CC[C@@]32C)c1.C#Cc1cnn(C[C@@](C)(O)[C@H]2CCC[C@H]3[C@@H]4CC[C@H]5C[C@@](O)(CCC)CC[C@@H]5[C@H]4CC[C@@]32C)c1.C#Cc1cnn(C[C@](C)(O)[C@H]2CCC[C@H]3[C@@H]4CC[C@@H]5C[C@@](O)(CC)CC[C@@H]5[C@H]4CC[C@@]32C)c1.C#Cc1cnn(C[C@](C)(O)[C@H]2CCC[C@H]3[C@@H]4CC[C@@H]5C[C@@](O)(CCC)CC[C@@H]5[C@H]4CC[C@@]32C)c1.C#Cc1cnn(C[C@](C)(O)[C@H]2CCC[C@H]3[C@@H]4CC[C@H]5C[C@@](O)(CCC)CC[C@@H]5[C@H]4CC[C@@]32C)c1.
What is the InChIKey of (2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol?
The InChIKey is OACUZYIPMLEPGC-DHFZPOHDSA-N. The full InChI is InChI=1S/4C30H46N2O2.2C29H44N2O2/c4*1-5-14-30(34)16-13-23-22(17-30)10-11-25-24(23)12-15-28(3)26(25)8-7-9-27(28)29(4,33)20-32-19-21(6-2)18-31-32;2*1-5-20-17-30-31(18-20)19-28(4,32)26-9-7-8-25-24-11-10-21-16-29(33,6-2)15-13-22(21)23(24)12-14-27(25,26)3/h4*2,18-19,22-27,33-34H,5,7-17,20H2,1,3-4H3;2*1,17-18,21-26,32-33H,6-16,19H2,2-4H3/t22-,23+,24-,25-,26+,27+,28+,29+,30-;22-,23+,24-,25-,26+,27+,28+,29-,30-;22-,23-,24+,25+,26-,27-,28-,29+,30+;22-,23-,24+,25+,26-,27-,28-,29-,30+;21-,22+,23-,24-,25+,26+,27+,28+,29-;21-,22+,23-,24-,25+,26+,27+,28-,29-/m110011/s1.
What are the key properties of (2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol?
(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol has a molecular weight of 2772.21 g/mol, XLogP of 34.05, 28 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-2-ethyl-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aR)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2R)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol;(2R,4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-[(2S)-1-(4-ethynylpyrazol-1-yl)-2-hydroxypropan-2-yl]-6a-methyl-2-propyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol is sourced from PubChem (CID 167632615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).