(8S,9R,10S,13S,14R)-1-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

C17H24O2 — CID 140556506

IUPAC(8S,9R,10S,13S,14R)-1-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
SMILESO=C1C=C2CC[C@H]3[C@@H]4CCC[C@H]4CC[C@H]3[C@@H]2C(O)C1
InChIInChI=1S/C17H24O2/c18-12-8-11-5-6-14-13-3-1-2-10(13)4-7-15(14)17(11)16(19)9-12/h8,10,13-17,19H,1-7,9H2/t10-,13+,14-,15+,16?,17+/m0/s1
InChIKeyLKFXXGYUNRZGTM-AEHONCESSA-N
MW260.38 g/mol
LogP3.10
Rot. Bonds

About (8S,9R,10S,13S,14R)-1-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

(8S,9R,10S,13S,14R)-1-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one (PubChem CID 140556506) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (8S,9R,10S,13S,14R)-1-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one.

Molecular Properties

Compound Name(8S,9R,10S,13S,14R)-1-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
PubChem CID140556506
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(8S,9R,10S,13S,14R)-1-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
SMILESO=C1C=C2CC[C@H]3[C@@H]4CCC[C@H]4CC[C@H]3[C@@H]2C(O)C1
InChIInChI=1S/C17H24O2/c18-12-8-11-5-6-14-13-3-1-2-10(13)4-7-15(14)17(11)16(19)9-12/h8,10,13-17,19H,1-7,9H2/t10-,13+,14-,15+,16?,17+/m0/s1
InChIKeyLKFXXGYUNRZGTM-AEHONCESSA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (8S,9R,10S,13S,14R)-1-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one with MolForge

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Related Compounds

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CID 118900391
(1S,8R,9S,10R,13S,14S)-1-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 70271285
1-methyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 141172175
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CID 67931978
1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol
CID 141104109
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
CID 140658819
(8S,9R,13S)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 145133460
2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-ol
CID 143022557
(8R,10S,13S)-2,6,7,8,9,10,11,12,13,14,15,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
CID 144685585
(8S,9R,10S,13S,14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 57368410
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-2-ol
CID 77359827
1,2,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-tetradecahydropyrene-1,2-diol
CID 71335081

Frequently Asked Questions

What is the IUPAC name of (8S,9R,10S,13S,14R)-1-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one?
The IUPAC name of (8S,9R,10S,13S,14R)-1-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one (CID 140556506) is (8S,9R,10S,13S,14R)-1-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one.
What is the SMILES notation for (8S,9R,10S,13S,14R)-1-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one?
The canonical SMILES for (8S,9R,10S,13S,14R)-1-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one is O=C1C=C2CC[C@H]3[C@@H]4CCC[C@H]4CC[C@H]3[C@@H]2C(O)C1.
What is the InChIKey of (8S,9R,10S,13S,14R)-1-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one?
The InChIKey is LKFXXGYUNRZGTM-AEHONCESSA-N. The full InChI is InChI=1S/C17H24O2/c18-12-8-11-5-6-14-13-3-1-2-10(13)4-7-15(14)17(11)16(19)9-12/h8,10,13-17,19H,1-7,9H2/t10-,13+,14-,15+,16?,17+/m0/s1.
What are the key properties of (8S,9R,10S,13S,14R)-1-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one?
(8S,9R,10S,13S,14R)-1-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one has a molecular weight of 260.38 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9R,10S,13S,14R)-1-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one is sourced from PubChem (CID 140556506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).