(1S,9R,10S)-12-benzyl-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1S,9R,10S)-12-(cyclopropylmethyl)-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1R,9R,10S)-12-(cyclopropylmethyl)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1S,9R,10S)-17-methyl-13-methylidene-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12-[(4-methylphenyl)methyl]-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol

C120H154N12O8 — CID 160859701

IUPAC(1S,9R,10S)-12-benzyl-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1S,9R,10S)-12-(cyclopropylmethyl)-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1R,9R,10S)-12-(cyclopropylmethyl)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1S,9R,10S)-17-methyl-13-methylidene-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12-[(4-methylphenyl)methyl]-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
SMILESC=C1C[C@]23CCN(C)[C@H](Cc4ccc(O)cc42)[C@@H]3CN1.CN1CC[C@]23CC(=O)N(CC4CC4)C[C@H]2[C@H]1Cc1ccc(O)cc13.CN1CC[C@]23CC(=O)N(Cc4ccccc4)C[C@H]2[C@H]1Cc1ccc(O)cc13.CN1CC[C@]23CCN(CC4CC4)C[C@H]2[C@H]1Cc1ccc(O)cc13.CN1CC[C@]23CCNC[C@H]2[C@H]1Cc1ccc(O)cc13.Cc1ccc(CN2CC[C@]34CCN(C)[C@H](Cc5ccc(O)cc53)[C@@H]4C2)cc1
InChIInChI=1S/C24H30N2O.C23H26N2O2.C20H26N2O2.C20H28N2O.C17H22N2O.C16H22N2O/c1-17-3-5-18(6-4-17)15-26-12-10-24-9-11-25(2)23(22(24)16-26)13-19-7-8-20(27)14-21(19)24;1-24-10-9-23-13-22(27)25(14-16-5-3-2-4-6-16)15-20(23)21(24)11-17-7-8-18(26)12-19(17)23;1-21-7-6-20-10-19(24)22(11-13-2-3-13)12-17(20)18(21)8-14-4-5-15(23)9-16(14)20;1-21-8-6-20-7-9-22(12-14-2-3-14)13-18(20)19(21)10-15-4-5-16(23)11-17(15)20;1-11-9-17-5-6-19(2)16(15(17)10-18-11)7-12-3-4-13(20)8-14(12)17;1-18-7-5-16-4-6-17-10-14(16)15(18)8-11-2-3-12(19)9-13(11)16/h3-8,14,22-23,27H,9-13,15-16H2,1-2H3;2-8,12,20-21,26H,9-11,13-15H2,1H3;4-5,9,13,17-18,23H,2-3,6-8,10-12H2,1H3;4-5,11,14,18-19,23H,2-3,6-10,12-13H2,1H3;3-4,8,15-16,18,20H,1,5-7,9-10H2,2H3;2-3,9,14-15,17,19H,4-8,10H2,1H3/t22-,23+,24+;20-,21+,23+;17-,18+,20+;18-,19+,20+;15-,16+,17+;14-,15+,16-/m000000/s1
InChIKeySKHZUJHSIWKOEK-LRWVEMMOSA-N
MW1892.63 g/mol
LogP14.94
Rot. Bonds8

About (1S,9R,10S)-12-benzyl-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1S,9R,10S)-12-(cyclopropylmethyl)-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1R,9R,10S)-12-(cyclopropylmethyl)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1S,9R,10S)-17-methyl-13-methylidene-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12-[(4-methylphenyl)methyl]-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol

(1S,9R,10S)-12-benzyl-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1S,9R,10S)-12-(cyclopropylmethyl)-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1R,9R,10S)-12-(cyclopropylmethyl)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1S,9R,10S)-17-methyl-13-methylidene-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12-[(4-methylphenyl)methyl]-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol (PubChem CID 160859701) has the molecular formula C120H154N12O8 and a molecular weight of 1892.63 g/mol. Its IUPAC name is (1S,9R,10S)-12-benzyl-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1S,9R,10S)-12-(cyclopropylmethyl)-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1R,9R,10S)-12-(cyclopropylmethyl)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1S,9R,10S)-17-methyl-13-methylidene-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12-[(4-methylphenyl)methyl]-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol.

Molecular Properties

Compound Name(1S,9R,10S)-12-benzyl-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1S,9R,10S)-12-(cyclopropylmethyl)-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1R,9R,10S)-12-(cyclopropylmethyl)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1S,9R,10S)-17-methyl-13-methylidene-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12-[(4-methylphenyl)methyl]-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
PubChem CID160859701
Molecular FormulaC120H154N12O8
Molecular Weight1892.63 g/mol
Exact Mass1891.20
IUPAC Name(1S,9R,10S)-12-benzyl-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1S,9R,10S)-12-(cyclopropylmethyl)-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1R,9R,10S)-12-(cyclopropylmethyl)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1S,9R,10S)-17-methyl-13-methylidene-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12-[(4-methylphenyl)methyl]-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
SMILESC=C1C[C@]23CCN(C)[C@H](Cc4ccc(O)cc42)[C@@H]3CN1.CN1CC[C@]23CC(=O)N(CC4CC4)C[C@H]2[C@H]1Cc1ccc(O)cc13.CN1CC[C@]23CC(=O)N(Cc4ccccc4)C[C@H]2[C@H]1Cc1ccc(O)cc13.CN1CC[C@]23CCN(CC4CC4)C[C@H]2[C@H]1Cc1ccc(O)cc13.CN1CC[C@]23CCNC[C@H]2[C@H]1Cc1ccc(O)cc13.Cc1ccc(CN2CC[C@]34CCN(C)[C@H](Cc5ccc(O)cc53)[C@@H]4C2)cc1
InChIInChI=1S/C24H30N2O.C23H26N2O2.C20H26N2O2.C20H28N2O.C17H22N2O.C16H22N2O/c1-17-3-5-18(6-4-17)15-26-12-10-24-9-11-25(2)23(22(24)16-26)13-19-7-8-20(27)14-21(19)24;1-24-10-9-23-13-22(27)25(14-16-5-3-2-4-6-16)15-20(23)21(24)11-17-7-8-18(26)12-19(17)23;1-21-7-6-20-10-19(24)22(11-13-2-3-13)12-17(20)18(21)8-14-4-5-15(23)9-16(14)20;1-21-8-6-20-7-9-22(12-14-2-3-14)13-18(20)19(21)10-15-4-5-16(23)11-17(15)20;1-11-9-17-5-6-19(2)16(15(17)10-18-11)7-12-3-4-13(20)8-14(12)17;1-18-7-5-16-4-6-17-10-14(16)15(18)8-11-2-3-12(19)9-13(11)16/h3-8,14,22-23,27H,9-13,15-16H2,1-2H3;2-8,12,20-21,26H,9-11,13-15H2,1H3;4-5,9,13,17-18,23H,2-3,6-8,10-12H2,1H3;4-5,11,14,18-19,23H,2-3,6-10,12-13H2,1H3;3-4,8,15-16,18,20H,1,5-7,9-10H2,2H3;2-3,9,14-15,17,19H,4-8,10H2,1H3/t22-,23+,24+;20-,21+,23+;17-,18+,20+;18-,19+,20+;15-,16+,17+;14-,15+,16-/m000000/s1
InChIKeySKHZUJHSIWKOEK-LRWVEMMOSA-N
XLogP14.94
TPSA211.98 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001892.63
LogP ≤ 514.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze (1S,9R,10S)-12-benzyl-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1S,9R,10S)-12-(cyclopropylmethyl)-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1R,9R,10S)-12-(cyclopropylmethyl)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1S,9R,10S)-17-methyl-13-methylidene-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12-[(4-methylphenyl)methyl]-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol with MolForge

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Related Compounds

(9R,10S)-4-methoxy-12-[(4-methoxyphenyl)methyl]-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
CID 144978583
(1S,9R,10S)-17-(cyclopropylmethyl)-4-hydroxy-12-(2-oxopropyl)-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
CID 90222887
2-[(9R,10S)-17-(cyclopropylmethyl)-4-hydroxy-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetamide
CID 126581598
(1S,9S,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 5390113
(1R,9R,10R)-17-(cyclopropylmethyl)-4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
CID 23307210
(1S,9R,10R,13S)-4-hydroxy-17-methylspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
CID 118550269
12-(2-amino-1-hydroxypropyl)-17-(cyclopropylmethyl)-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 123213563
bis(2,2,3,3,4,4,4-heptafluorobutanoic acid);(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 87107683
cyclopropyl-[(1S,9R,10S)-4,17-dimethyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]methanone
CID 129039986
(1R,9S,10S,13S)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,13-diol
CID 162462697
(1S,9S,10R)-17-[2-(4-methylphenyl)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;hydrochloride
CID 6916727
(1S,9R,10S)-4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;phosphoric acid
CID 5492722

Frequently Asked Questions

What is the IUPAC name of (1S,9R,10S)-12-benzyl-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1S,9R,10S)-12-(cyclopropylmethyl)-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1R,9R,10S)-12-(cyclopropylmethyl)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1S,9R,10S)-17-methyl-13-methylidene-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12-[(4-methylphenyl)methyl]-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol?
The IUPAC name of (1S,9R,10S)-12-benzyl-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1S,9R,10S)-12-(cyclopropylmethyl)-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1R,9R,10S)-12-(cyclopropylmethyl)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1S,9R,10S)-17-methyl-13-methylidene-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12-[(4-methylphenyl)methyl]-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol (CID 160859701) is (1S,9R,10S)-12-benzyl-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1S,9R,10S)-12-(cyclopropylmethyl)-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1R,9R,10S)-12-(cyclopropylmethyl)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1S,9R,10S)-17-methyl-13-methylidene-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12-[(4-methylphenyl)methyl]-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol.
What is the SMILES notation for (1S,9R,10S)-12-benzyl-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1S,9R,10S)-12-(cyclopropylmethyl)-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1R,9R,10S)-12-(cyclopropylmethyl)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1S,9R,10S)-17-methyl-13-methylidene-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12-[(4-methylphenyl)methyl]-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol?
The canonical SMILES for (1S,9R,10S)-12-benzyl-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1S,9R,10S)-12-(cyclopropylmethyl)-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1R,9R,10S)-12-(cyclopropylmethyl)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1S,9R,10S)-17-methyl-13-methylidene-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12-[(4-methylphenyl)methyl]-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol is C=C1C[C@]23CCN(C)[C@H](Cc4ccc(O)cc42)[C@@H]3CN1.CN1CC[C@]23CC(=O)N(CC4CC4)C[C@H]2[C@H]1Cc1ccc(O)cc13.CN1CC[C@]23CC(=O)N(Cc4ccccc4)C[C@H]2[C@H]1Cc1ccc(O)cc13.CN1CC[C@]23CCN(CC4CC4)C[C@H]2[C@H]1Cc1ccc(O)cc13.CN1CC[C@]23CCNC[C@H]2[C@H]1Cc1ccc(O)cc13.Cc1ccc(CN2CC[C@]34CCN(C)[C@H](Cc5ccc(O)cc53)[C@@H]4C2)cc1.
What is the InChIKey of (1S,9R,10S)-12-benzyl-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1S,9R,10S)-12-(cyclopropylmethyl)-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1R,9R,10S)-12-(cyclopropylmethyl)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1S,9R,10S)-17-methyl-13-methylidene-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12-[(4-methylphenyl)methyl]-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol?
The InChIKey is SKHZUJHSIWKOEK-LRWVEMMOSA-N. The full InChI is InChI=1S/C24H30N2O.C23H26N2O2.C20H26N2O2.C20H28N2O.C17H22N2O.C16H22N2O/c1-17-3-5-18(6-4-17)15-26-12-10-24-9-11-25(2)23(22(24)16-26)13-19-7-8-20(27)14-21(19)24;1-24-10-9-23-13-22(27)25(14-16-5-3-2-4-6-16)15-20(23)21(24)11-17-7-8-18(26)12-19(17)23;1-21-7-6-20-10-19(24)22(11-13-2-3-13)12-17(20)18(21)8-14-4-5-15(23)9-16(14)20;1-21-8-6-20-7-9-22(12-14-2-3-14)13-18(20)19(21)10-15-4-5-16(23)11-17(15)20;1-11-9-17-5-6-19(2)16(15(17)10-18-11)7-12-3-4-13(20)8-14(12)17;1-18-7-5-16-4-6-17-10-14(16)15(18)8-11-2-3-12(19)9-13(11)16/h3-8,14,22-23,27H,9-13,15-16H2,1-2H3;2-8,12,20-21,26H,9-11,13-15H2,1H3;4-5,9,13,17-18,23H,2-3,6-8,10-12H2,1H3;4-5,11,14,18-19,23H,2-3,6-10,12-13H2,1H3;3-4,8,15-16,18,20H,1,5-7,9-10H2,2H3;2-3,9,14-15,17,19H,4-8,10H2,1H3/t22-,23+,24+;20-,21+,23+;17-,18+,20+;18-,19+,20+;15-,16+,17+;14-,15+,16-/m000000/s1.
What are the key properties of (1S,9R,10S)-12-benzyl-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1S,9R,10S)-12-(cyclopropylmethyl)-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1R,9R,10S)-12-(cyclopropylmethyl)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1S,9R,10S)-17-methyl-13-methylidene-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12-[(4-methylphenyl)methyl]-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol?
(1S,9R,10S)-12-benzyl-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1S,9R,10S)-12-(cyclopropylmethyl)-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1R,9R,10S)-12-(cyclopropylmethyl)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1S,9R,10S)-17-methyl-13-methylidene-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12-[(4-methylphenyl)methyl]-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol has a molecular weight of 1892.63 g/mol, XLogP of 14.94, 8 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R,10S)-12-benzyl-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1S,9R,10S)-12-(cyclopropylmethyl)-4-hydroxy-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1R,9R,10S)-12-(cyclopropylmethyl)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1S,9R,10S)-17-methyl-13-methylidene-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(1R,9R,10S)-17-methyl-12-[(4-methylphenyl)methyl]-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol is sourced from PubChem (CID 160859701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).