(8R,9S,13S,14S,17R)-13-methyl-1-methylidene-7,8,9,10,11,12,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

C19H26O2 — CID 67689171

IUPAC(8R,9S,13S,14S,17R)-13-methyl-1-methylidene-7,8,9,10,11,12,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
SMILESC=C1C=C(O)C=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](O)CC[C@@H]34)C12
InChIInChI=1S/C19H26O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h9-10,14-18,20-21H,1,3-8H2,2H3/t14-,15+,16+,17-,18?,19+/m1/s1
InChIKeyFHDQFHSATCONBC-NZRZKHDVSA-N
MW286.42 g/mol
LogP4.14
Rot. Bonds

About (8R,9S,13S,14S,17R)-13-methyl-1-methylidene-7,8,9,10,11,12,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

(8R,9S,13S,14S,17R)-13-methyl-1-methylidene-7,8,9,10,11,12,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (PubChem CID 67689171) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is (8R,9S,13S,14S,17R)-13-methyl-1-methylidene-7,8,9,10,11,12,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.

Molecular Properties

Compound Name(8R,9S,13S,14S,17R)-13-methyl-1-methylidene-7,8,9,10,11,12,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
PubChem CID67689171
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name(8R,9S,13S,14S,17R)-13-methyl-1-methylidene-7,8,9,10,11,12,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
SMILESC=C1C=C(O)C=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](O)CC[C@@H]34)C12
InChIInChI=1S/C19H26O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h9-10,14-18,20-21H,1,3-8H2,2H3/t14-,15+,16+,17-,18?,19+/m1/s1
InChIKeyFHDQFHSATCONBC-NZRZKHDVSA-N
XLogP4.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (8R,9S,13S,14S,17R)-13-methyl-1-methylidene-7,8,9,10,11,12,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol with MolForge

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Related Compounds

(8R,9S,13S,14S,17S)-13-methyl-1,6,7,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
CID 130324584
(8R,9S,10S,13S,14S,17R)-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 11875292
(8R,9S,10R,13S,14R,17R)-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 7048586
ethane;17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 157026706
13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol
CID 2825522
(3E)-13-methyl-3-propylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 155752377
(2R)-17-hydroxy-2,13-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 14170
(8R,9R,10R,13S,14S)-10,13-dimethyl-3-methylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2,17-diol
CID 57183959
(8R,9S,10R,13S,14S,17S)-17-hydroxy-2-methoxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 45376132
(8R,9S,10R,13S,14S,17S)-13-methyl-1,2,3,4,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-ol
CID 149159696
4,17-dihydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 14299614
13-methyl-3-phenoxyimino-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 71438193

Frequently Asked Questions

What is the IUPAC name of (8R,9S,13S,14S,17R)-13-methyl-1-methylidene-7,8,9,10,11,12,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol?
The IUPAC name of (8R,9S,13S,14S,17R)-13-methyl-1-methylidene-7,8,9,10,11,12,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (CID 67689171) is (8R,9S,13S,14S,17R)-13-methyl-1-methylidene-7,8,9,10,11,12,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.
What is the SMILES notation for (8R,9S,13S,14S,17R)-13-methyl-1-methylidene-7,8,9,10,11,12,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol?
The canonical SMILES for (8R,9S,13S,14S,17R)-13-methyl-1-methylidene-7,8,9,10,11,12,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol is C=C1C=C(O)C=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](O)CC[C@@H]34)C12.
What is the InChIKey of (8R,9S,13S,14S,17R)-13-methyl-1-methylidene-7,8,9,10,11,12,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol?
The InChIKey is FHDQFHSATCONBC-NZRZKHDVSA-N. The full InChI is InChI=1S/C19H26O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h9-10,14-18,20-21H,1,3-8H2,2H3/t14-,15+,16+,17-,18?,19+/m1/s1.
What are the key properties of (8R,9S,13S,14S,17R)-13-methyl-1-methylidene-7,8,9,10,11,12,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol?
(8R,9S,13S,14S,17R)-13-methyl-1-methylidene-7,8,9,10,11,12,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol has a molecular weight of 286.42 g/mol, XLogP of 4.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9S,13S,14S,17R)-13-methyl-1-methylidene-7,8,9,10,11,12,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol is sourced from PubChem (CID 67689171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).