ethane;(8R,13R,14R,17R)-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol

C20H28O — CID 91490336

IUPACethane;(8R,13R,14R,17R)-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol
SMILESCC.C[C@@]12CC=C3c4ccccc4CC[C@@H]3[C@H]1CC[C@H]2O
InChIInChI=1S/C18H22O.C2H6/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19;1-2/h2-5,10,15-17,19H,6-9,11H2,1H3;1-2H3/t15-,16+,17+,18+;/m0./s1
InChIKeyWFELGUNPOPDJQL-OGFFAUFCSA-N
MW284.44 g/mol
LogP4.84
Rot. Bonds

About ethane;(8R,13R,14R,17R)-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol

ethane;(8R,13R,14R,17R)-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol (PubChem CID 91490336) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is ethane;(8R,13R,14R,17R)-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol.

Molecular Properties

Compound Nameethane;(8R,13R,14R,17R)-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol
PubChem CID91490336
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Nameethane;(8R,13R,14R,17R)-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol
SMILESCC.C[C@@]12CC=C3c4ccccc4CC[C@@H]3[C@H]1CC[C@H]2O
InChIInChI=1S/C18H22O.C2H6/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19;1-2/h2-5,10,15-17,19H,6-9,11H2,1H3;1-2H3/t15-,16+,17+,18+;/m0./s1
InChIKeyWFELGUNPOPDJQL-OGFFAUFCSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;(8R,13R,14R,17R)-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol with MolForge

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Related Compounds

ethane;(13S,14S)-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol
CID 91128042
(8R,13R,14R)-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol
CID 59912598
(8S,13S,14S,17S)-13-methyl-3-phenylmethoxy-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol
CID 10089941
3-hydroxy-3a,6,6-trimethyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-7-one
CID 71450978
3,3-dimethoxy-13-methyl-2,4,6,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 85398405
methane;methanol;(11R,13R,17S)-3,13,17-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-ol;(13R,17S)-3,13,17-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene
CID 161448620
10,17-dihydroxy-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
CID 18436641
(13R,14R,17R)-13-methyl-6,7,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol
CID 59912600
(3S,8S,10S,13S,14S,17S)-10,13-dimethyl-2,3,6,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 102243261
(1S,3bS,12aS)-1-hydroxy-12a-methyl-1,2,3,3a,3b,4,5,8,9,12-decahydroindeno[5,4-f]quinolizin-7-one
CID 52947845
(8S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-2,3,6,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2-carbonitrile
CID 174373926
(8S,9S,13S,14S,17S)-1-iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
CID 70448972

Frequently Asked Questions

What is the IUPAC name of ethane;(8R,13R,14R,17R)-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol?
The IUPAC name of ethane;(8R,13R,14R,17R)-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol (CID 91490336) is ethane;(8R,13R,14R,17R)-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol.
What is the SMILES notation for ethane;(8R,13R,14R,17R)-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol?
The canonical SMILES for ethane;(8R,13R,14R,17R)-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol is CC.C[C@@]12CC=C3c4ccccc4CC[C@@H]3[C@H]1CC[C@H]2O.
What is the InChIKey of ethane;(8R,13R,14R,17R)-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol?
The InChIKey is WFELGUNPOPDJQL-OGFFAUFCSA-N. The full InChI is InChI=1S/C18H22O.C2H6/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19;1-2/h2-5,10,15-17,19H,6-9,11H2,1H3;1-2H3/t15-,16+,17+,18+;/m0./s1.
What are the key properties of ethane;(8R,13R,14R,17R)-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol?
ethane;(8R,13R,14R,17R)-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol has a molecular weight of 284.44 g/mol, XLogP of 4.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(8R,13R,14R,17R)-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-ol is sourced from PubChem (CID 91490336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).