(6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-4,6a,6b,8a,11,14a-hexamethyl-3-propan-2-yloxy-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-3-ethoxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(piperidin-1-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one

C133H189N3O10 — CID 157381576

IUPAC(6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-4,6a,6b,8a,11,14a-hexamethyl-3-propan-2-yloxy-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-3-ethoxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(piperidin-1-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one
SMILESCC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(C)C)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1.CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(CN4CCCCC4)CC[C@]3(C)CC[C@]12C.CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(CN4CCN(C)CC4)CC[C@]3(C)CC[C@]12C.CCOC1=C(C)C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(C)=O)CC[C@]5(C)CC[C@]34C)C2=CC1=O
InChIInChI=1S/C34H50N2O2.C34H49NO2.C33H46O3.C32H44O3/c1-23-24-8-9-27-32(4,25(24)20-26(37)29(23)38)13-15-34(6)28-21-30(2,22-36-18-16-35(7)17-19-36)10-11-31(28,3)12-14-33(27,34)5;1-23-24-10-11-27-32(4,25(24)20-26(36)29(23)37)15-17-34(6)28-21-30(2,22-35-18-8-7-9-19-35)12-13-31(28,3)14-16-33(27,34)5;1-20(2)36-28-21(3)23-10-11-26-31(7,24(23)18-25(28)35)15-17-33(9)27-19-30(6,22(4)34)13-12-29(27,5)14-16-32(26,33)8;1-9-35-27-20(2)22-10-11-25-30(6,23(22)18-24(27)34)15-17-32(8)26-19-29(5,21(3)33)13-12-28(26,4)14-16-31(25,32)7/h8-9,20,28,38H,10-19,21-22H2,1-7H3;10-11,20,28,37H,7-9,12-19,21-22H2,1-6H3;10-11,18,20,27H,12-17,19H2,1-9H3;10-11,18,26H,9,12-17,19H2,1-8H3/t2*28-,30-,31-,32+,33-,34+;27-,29-,30-,31+,32-,33+;26-,28-,29-,30+,31-,32+/m1111/s1
InChIKeyBKYFBMDFUORTSH-QGPQRBDTSA-N
MW1989.99 g/mol
LogP30.71
Rot. Bonds10

About (6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-4,6a,6b,8a,11,14a-hexamethyl-3-propan-2-yloxy-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-3-ethoxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(piperidin-1-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one

(6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-4,6a,6b,8a,11,14a-hexamethyl-3-propan-2-yloxy-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-3-ethoxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(piperidin-1-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one (PubChem CID 157381576) has the molecular formula C133H189N3O10 and a molecular weight of 1989.99 g/mol. Its IUPAC name is (6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-4,6a,6b,8a,11,14a-hexamethyl-3-propan-2-yloxy-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-3-ethoxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(piperidin-1-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one.

Molecular Properties

Compound Name(6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-4,6a,6b,8a,11,14a-hexamethyl-3-propan-2-yloxy-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-3-ethoxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(piperidin-1-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one
PubChem CID157381576
Molecular FormulaC133H189N3O10
Molecular Weight1989.99 g/mol
Exact Mass1988.44
IUPAC Name(6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-4,6a,6b,8a,11,14a-hexamethyl-3-propan-2-yloxy-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-3-ethoxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(piperidin-1-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one
SMILESCC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(C)C)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1.CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(CN4CCCCC4)CC[C@]3(C)CC[C@]12C.CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(CN4CCN(C)CC4)CC[C@]3(C)CC[C@]12C.CCOC1=C(C)C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(C)=O)CC[C@]5(C)CC[C@]34C)C2=CC1=O
InChIInChI=1S/C34H50N2O2.C34H49NO2.C33H46O3.C32H44O3/c1-23-24-8-9-27-32(4,25(24)20-26(37)29(23)38)13-15-34(6)28-21-30(2,22-36-18-16-35(7)17-19-36)10-11-31(28,3)12-14-33(27,34)5;1-23-24-10-11-27-32(4,25(24)20-26(36)29(23)37)15-17-34(6)28-21-30(2,22-35-18-8-7-9-19-35)12-13-31(28,3)14-16-33(27,34)5;1-20(2)36-28-21(3)23-10-11-26-31(7,24(23)18-25(28)35)15-17-33(9)27-19-30(6,22(4)34)13-12-29(27,5)14-16-32(26,33)8;1-9-35-27-20(2)22-10-11-25-30(6,23(22)18-24(27)34)15-17-32(8)26-19-29(5,21(3)33)13-12-28(26,4)14-16-31(25,32)7/h8-9,20,28,38H,10-19,21-22H2,1-7H3;10-11,20,28,37H,7-9,12-19,21-22H2,1-6H3;10-11,18,20,27H,12-17,19H2,1-9H3;10-11,18,26H,9,12-17,19H2,1-8H3/t2*28-,30-,31-,32+,33-,34+;27-,29-,30-,31+,32-,33+;26-,28-,29-,30+,31-,32+/m1111/s1
InChIKeyBKYFBMDFUORTSH-QGPQRBDTSA-N
XLogP30.71
TPSA171.06 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001989.99
LogP ≤ 530.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze (6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-4,6a,6b,8a,11,14a-hexamethyl-3-propan-2-yloxy-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-3-ethoxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(piperidin-1-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one with MolForge

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Related Compounds

(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholine-4-carbonyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(morpholin-4-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one;methane
CID 160570692
(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-propanoyl-7,8,9,10,12,12a,13,14-octahydropicen-2-one
CID 58338790
10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
CID 4274774
(6aS,6bS,8aR,11R,12aR,14aR)-3-hydroxy-11-(hydroxymethyl)-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,10,12,12a,13,14-octahydropicen-2-one
CID 132989081
(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-11-[[1-hydroxyethyl(methyl)amino]methyl]-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,10,12,12a,13,14-octahydropicen-2-one
CID 146610449
(2R,4aS,6aR,14aS,14bR)-10-ethoxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carbonitrile
CID 146609981
prop-2-ynyl (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
CID 162665206
ethyl (2R,4aS,6aR,6aS,14aS,14bR)-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-10-phenylmethoxy-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
CID 145300928
(2-methoxy-2-oxoethyl) (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
CID 59428287
(6aS,6bS,8aS,11R,12aR,14aR)-11-(1-aminoethenyl)-4,6a,6b,8a,11,14a-hexamethyl-3-(3-methylbut-2-enoxy)-7,8,9,10,12,12a,13,14-octahydropicen-2-one
CID 129067607
(2R,4aS,6aR,6aS,14aS,14bR)-N-[2-(diethylamino)ethyl]-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxamide
CID 134140787
(2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid;(2R,4aS,6aR,6aS,9R,14aS,14bR)-9-(hydroxymethyl)-2,4a,6a,6a,9,14a-hexamethyl-10,11-dioxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid;methane
CID 167561795

Frequently Asked Questions

What is the IUPAC name of (6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-4,6a,6b,8a,11,14a-hexamethyl-3-propan-2-yloxy-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-3-ethoxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(piperidin-1-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one?
The IUPAC name of (6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-4,6a,6b,8a,11,14a-hexamethyl-3-propan-2-yloxy-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-3-ethoxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(piperidin-1-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one (CID 157381576) is (6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-4,6a,6b,8a,11,14a-hexamethyl-3-propan-2-yloxy-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-3-ethoxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(piperidin-1-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one.
What is the SMILES notation for (6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-4,6a,6b,8a,11,14a-hexamethyl-3-propan-2-yloxy-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-3-ethoxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(piperidin-1-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one?
The canonical SMILES for (6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-4,6a,6b,8a,11,14a-hexamethyl-3-propan-2-yloxy-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-3-ethoxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(piperidin-1-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one is CC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(OC(C)C)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1.CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(CN4CCCCC4)CC[C@]3(C)CC[C@]12C.CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(CN4CCN(C)CC4)CC[C@]3(C)CC[C@]12C.CCOC1=C(C)C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(C)=O)CC[C@]5(C)CC[C@]34C)C2=CC1=O.
What is the InChIKey of (6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-4,6a,6b,8a,11,14a-hexamethyl-3-propan-2-yloxy-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-3-ethoxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(piperidin-1-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one?
The InChIKey is BKYFBMDFUORTSH-QGPQRBDTSA-N. The full InChI is InChI=1S/C34H50N2O2.C34H49NO2.C33H46O3.C32H44O3/c1-23-24-8-9-27-32(4,25(24)20-26(37)29(23)38)13-15-34(6)28-21-30(2,22-36-18-16-35(7)17-19-36)10-11-31(28,3)12-14-33(27,34)5;1-23-24-10-11-27-32(4,25(24)20-26(36)29(23)37)15-17-34(6)28-21-30(2,22-35-18-8-7-9-19-35)12-13-31(28,3)14-16-33(27,34)5;1-20(2)36-28-21(3)23-10-11-26-31(7,24(23)18-25(28)35)15-17-33(9)27-19-30(6,22(4)34)13-12-29(27,5)14-16-32(26,33)8;1-9-35-27-20(2)22-10-11-25-30(6,23(22)18-24(27)34)15-17-32(8)26-19-29(5,21(3)33)13-12-28(26,4)14-16-31(25,32)7/h8-9,20,28,38H,10-19,21-22H2,1-7H3;10-11,20,28,37H,7-9,12-19,21-22H2,1-6H3;10-11,18,20,27H,12-17,19H2,1-9H3;10-11,18,26H,9,12-17,19H2,1-8H3/t2*28-,30-,31-,32+,33-,34+;27-,29-,30-,31+,32-,33+;26-,28-,29-,30+,31-,32+/m1111/s1.
What are the key properties of (6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-4,6a,6b,8a,11,14a-hexamethyl-3-propan-2-yloxy-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-3-ethoxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(piperidin-1-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one?
(6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-4,6a,6b,8a,11,14a-hexamethyl-3-propan-2-yloxy-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-3-ethoxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(piperidin-1-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one has a molecular weight of 1989.99 g/mol, XLogP of 30.71, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-4,6a,6b,8a,11,14a-hexamethyl-3-propan-2-yloxy-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-11-acetyl-3-ethoxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-[(4-methylpiperazin-1-yl)methyl]-7,8,9,10,12,12a,13,14-octahydropicen-2-one;(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(piperidin-1-ylmethyl)-7,8,9,10,12,12a,13,14-octahydropicen-2-one is sourced from PubChem (CID 157381576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).