13-methyl-17-methylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6-diol

C19H24O2 — CID 18315266

IUPAC13-methyl-17-methylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6-diol
SMILESC=C1CCC2C3CC(O)c4cc(O)ccc4C3CCC12C
InChIInChI=1S/C19H24O2/c1-11-3-6-17-15-10-18(21)16-9-12(20)4-5-13(16)14(15)7-8-19(11,17)2/h4-5,9,14-15,17-18,20-21H,1,3,6-8,10H2,2H3
InChIKeyHGLAXRQOIAFUSL-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.30
Rot. Bonds

About 13-methyl-17-methylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6-diol

13-methyl-17-methylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6-diol (PubChem CID 18315266) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 13-methyl-17-methylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6-diol.

Molecular Properties

Compound Name13-methyl-17-methylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6-diol
PubChem CID18315266
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name13-methyl-17-methylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6-diol
SMILESC=C1CCC2C3CC(O)c4cc(O)ccc4C3CCC12C
InChIInChI=1S/C19H24O2/c1-11-3-6-17-15-10-18(21)16-9-12(20)4-5-13(16)14(15)7-8-19(11,17)2/h4-5,9,14-15,17-18,20-21H,1,3,6-8,10H2,2H3
InChIKeyHGLAXRQOIAFUSL-UHFFFAOYSA-N
XLogP4.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6R,13S,17Z)-17-ethylidene-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6-diol
CID 59958339
(6S,8S,9S,13S,14S)-17-(difluoromethylidene)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6-diol
CID 67651121
13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,6,17-triol
CID 622994
(13S)-3-hydroxy-13-methyl-17-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-6-one
CID 54338170
3-hydroxy-6,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;methoxymethane
CID 143906778
3,13-dimethyl-17-methylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene;methane
CID 142945041
(8R,9S,13S,14S,17E)-6-methoxy-17-methoxyimino-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol
CID 20845660
[(6S,8R,9S,13S,14S)-3-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-6-yl] hydrogen sulfate
CID 102187598
2-[(8S,9S,13S,14S)-13-methyl-17-methylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]acetic acid
CID 140980442
(8S,9S,13S,14S)-17-hydroxyimino-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol
CID 11873009
ethane;(14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 145187135
(4aS,4bR,10bS,12aS)-6,8-dihydroxy-11,12a-dimethyl-2,3,4,4a,4b,5,6,10b,11,12-decahydrochrysen-1-one
CID 3035841

Frequently Asked Questions

What is the IUPAC name of 13-methyl-17-methylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6-diol?
The IUPAC name of 13-methyl-17-methylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6-diol (CID 18315266) is 13-methyl-17-methylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6-diol.
What is the SMILES notation for 13-methyl-17-methylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6-diol?
The canonical SMILES for 13-methyl-17-methylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6-diol is C=C1CCC2C3CC(O)c4cc(O)ccc4C3CCC12C.
What is the InChIKey of 13-methyl-17-methylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6-diol?
The InChIKey is HGLAXRQOIAFUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-11-3-6-17-15-10-18(21)16-9-12(20)4-5-13(16)14(15)7-8-19(11,17)2/h4-5,9,14-15,17-18,20-21H,1,3,6-8,10H2,2H3.
What are the key properties of 13-methyl-17-methylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6-diol?
13-methyl-17-methylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6-diol has a molecular weight of 284.40 g/mol, XLogP of 4.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-17-methylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6-diol is sourced from PubChem (CID 18315266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).