(8R,9R,10R,13S,14S)-17-(furan-2-yl)-7,10,13,16-tetramethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol

C25H34O2 — CID 67226057

IUPAC(8R,9R,10R,13S,14S)-17-(furan-2-yl)-7,10,13,16-tetramethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SMILESCC1=C(c2ccco2)[C@@]2(C)CC[C@@H]3[C@@H](C(C)C=C4CC(O)CC[C@@]43C)[C@@H]2C1
InChIInChI=1S/C25H34O2/c1-15-12-17-14-18(26)7-9-24(17,3)19-8-10-25(4)20(22(15)19)13-16(2)23(25)21-6-5-11-27-21/h5-6,11-12,15,18-20,22,26H,7-10,13-14H2,1-4H3/t15?,18?,19-,20+,22-,24+,25+/m1/s1
InChIKeyAILWDRWYKKNBAC-BPAZLWAGSA-N
MW366.55 g/mol
LogP6.23
Rot. Bonds1

About (8R,9R,10R,13S,14S)-17-(furan-2-yl)-7,10,13,16-tetramethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol

(8R,9R,10R,13S,14S)-17-(furan-2-yl)-7,10,13,16-tetramethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol (PubChem CID 67226057) has the molecular formula C25H34O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is (8R,9R,10R,13S,14S)-17-(furan-2-yl)-7,10,13,16-tetramethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol.

Molecular Properties

Compound Name(8R,9R,10R,13S,14S)-17-(furan-2-yl)-7,10,13,16-tetramethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
PubChem CID67226057
Molecular FormulaC25H34O2
Molecular Weight366.55 g/mol
Exact Mass366.26
IUPAC Name(8R,9R,10R,13S,14S)-17-(furan-2-yl)-7,10,13,16-tetramethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SMILESCC1=C(c2ccco2)[C@@]2(C)CC[C@@H]3[C@@H](C(C)C=C4CC(O)CC[C@@]43C)[C@@H]2C1
InChIInChI=1S/C25H34O2/c1-15-12-17-14-18(26)7-9-24(17,3)19-8-10-25(4)20(22(15)19)13-16(2)23(25)21-6-5-11-27-21/h5-6,11-12,15,18-20,22,26H,7-10,13-14H2,1-4H3/t15?,18?,19-,20+,22-,24+,25+/m1/s1
InChIKeyAILWDRWYKKNBAC-BPAZLWAGSA-N
XLogP6.23
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (8R,9R,10R,13S,14S)-17-(furan-2-yl)-7,10,13,16-tetramethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol with MolForge

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Related Compounds

(3S,7S,8R,9S,10R,13S,14S)-7,10,13,16-tetramethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 67226389
(3S,7S,8R,9S,10R,13S,14S)-17-cyclohexyl-7,10,13,16-tetramethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 67224877
(8R,9R,10R,13S,14S)-7,10,13-trimethyl-17-(1,3-oxazol-5-yl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
CID 67225242
(8S,9R,10R,13S,14S)-7,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 70622313
(3R,7R,8R,9S,10R,13S,14S)-10,13,16-trimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
CID 67225000
(3R,7R,8R,9S,10R,13S,14S)-7,10,13-trimethyl-17-piperidin-4-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 67226054
(3S,7R,8R,9S,10R,13S,14S)-7,10,13,16-tetramethyl-17-(2H-pyrimidin-1-yl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 67225412
(3S,7S,8R,9S,10R,13S,14S)-7,10,13-trimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 67224418
(3S,7R,8R,9S,10R,13S,14S)-7,10,13-trimethyl-17-(1,3-thiazol-2-yl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 67225877
(3S,7R,8R,9S,10R,13S,14S)-17-imidazol-1-yl-7,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
CID 67226065
(3S,7R,10R)-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 71216162
(3R,7S,8R,9S,10R,13S,14S)-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 11544015

Frequently Asked Questions

What is the IUPAC name of (8R,9R,10R,13S,14S)-17-(furan-2-yl)-7,10,13,16-tetramethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol?
The IUPAC name of (8R,9R,10R,13S,14S)-17-(furan-2-yl)-7,10,13,16-tetramethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol (CID 67226057) is (8R,9R,10R,13S,14S)-17-(furan-2-yl)-7,10,13,16-tetramethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol.
What is the SMILES notation for (8R,9R,10R,13S,14S)-17-(furan-2-yl)-7,10,13,16-tetramethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol?
The canonical SMILES for (8R,9R,10R,13S,14S)-17-(furan-2-yl)-7,10,13,16-tetramethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol is CC1=C(c2ccco2)[C@@]2(C)CC[C@@H]3[C@@H](C(C)C=C4CC(O)CC[C@@]43C)[C@@H]2C1.
What is the InChIKey of (8R,9R,10R,13S,14S)-17-(furan-2-yl)-7,10,13,16-tetramethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol?
The InChIKey is AILWDRWYKKNBAC-BPAZLWAGSA-N. The full InChI is InChI=1S/C25H34O2/c1-15-12-17-14-18(26)7-9-24(17,3)19-8-10-25(4)20(22(15)19)13-16(2)23(25)21-6-5-11-27-21/h5-6,11-12,15,18-20,22,26H,7-10,13-14H2,1-4H3/t15?,18?,19-,20+,22-,24+,25+/m1/s1.
What are the key properties of (8R,9R,10R,13S,14S)-17-(furan-2-yl)-7,10,13,16-tetramethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol?
(8R,9R,10R,13S,14S)-17-(furan-2-yl)-7,10,13,16-tetramethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol has a molecular weight of 366.55 g/mol, XLogP of 6.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9R,10R,13S,14S)-17-(furan-2-yl)-7,10,13,16-tetramethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 67226057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).