sodium;(5R)-5-[(8S,9S,10S,13S,14R,17R)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxan-2-one;hydride

C24H35NaO2 — CID 173328728

IUPACsodium;(5R)-5-[(8S,9S,10S,13S,14R,17R)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxan-2-one;hydride
SMILESC[C@]12CC[C@H]3[C@@H](CCC4C=CC=C[C@@]43C)[C@H]1CC[C@@H]2[C@H]1CCC(=O)OC1.[H-].[Na+]
InChIInChI=1S/C24H34O2.Na.H/c1-23-13-4-3-5-17(23)7-8-18-20-10-9-19(16-6-11-22(25)26-15-16)24(20,2)14-12-21(18)23;;/h3-5,13,16-21H,6-12,14-15H2,1-2H3;;/q;+1;-1/t16-,17?,18-,19+,20+,21-,23-,24+;;/m0../s1
InChIKeyFMWNWRGVWTTYME-VWKRLTJCSA-N
MW378.53 g/mol
LogP2.66
Rot. Bonds1

About sodium;(5R)-5-[(8S,9S,10S,13S,14R,17R)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxan-2-one;hydride

sodium;(5R)-5-[(8S,9S,10S,13S,14R,17R)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxan-2-one;hydride (PubChem CID 173328728) has the molecular formula C24H35NaO2 and a molecular weight of 378.53 g/mol. Its IUPAC name is sodium;(5R)-5-[(8S,9S,10S,13S,14R,17R)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxan-2-one;hydride.

Molecular Properties

Compound Namesodium;(5R)-5-[(8S,9S,10S,13S,14R,17R)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxan-2-one;hydride
PubChem CID173328728
Molecular FormulaC24H35NaO2
Molecular Weight378.53 g/mol
Exact Mass378.25
IUPAC Namesodium;(5R)-5-[(8S,9S,10S,13S,14R,17R)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxan-2-one;hydride
SMILESC[C@]12CC[C@H]3[C@@H](CCC4C=CC=C[C@@]43C)[C@H]1CC[C@@H]2[C@H]1CCC(=O)OC1.[H-].[Na+]
InChIInChI=1S/C24H34O2.Na.H/c1-23-13-4-3-5-17(23)7-8-18-20-10-9-19(16-6-11-22(25)26-15-16)24(20,2)14-12-21(18)23;;/h3-5,13,16-21H,6-12,14-15H2,1-2H3;;/q;+1;-1/t16-,17?,18-,19+,20+,21-,23-,24+;;/m0../s1
InChIKeyFMWNWRGVWTTYME-VWKRLTJCSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.53
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze sodium;(5R)-5-[(8S,9S,10S,13S,14R,17R)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxan-2-one;hydride with MolForge

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Related Compounds

(8R,9S,10S,13S,14S)-10,13-dimethyl-5,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
CID 70465089
4-[(5S,8R,9S,10S,13S,14R,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-one
CID 91370794
(4R)-4-[(8R,9S,10S,13S,14R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-one
CID 152743413
(8S,9S,10S,13S,14R,17R)-13-methyl-17-[(3R)-5-oxooxolan-3-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-10-carbaldehyde
CID 88798354
(5R,8R,9S,10S,13S,14S)-N,N,10,13-tetramethyl-6,7,8,9,11,12,14,15-octahydro-5H-cyclopenta[a]phenanthren-17-amine
CID 154293719
(5S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-propan-2-yloxy-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 156740931
(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene-3,17-diol
CID 66708413
17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 579094
(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 22790888
(1R,2S,5S,7R,8S,11S,12R,16R)-2,16-dimethyl-6-oxapentacyclo[9.7.0.02,8.05,7.012,16]octadecan-15-one
CID 90350213
sodium 2-[(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]propanoate
CID 118718209
(8R,9R,10R,13S,14S)-17-methoxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 57106656

Frequently Asked Questions

What is the IUPAC name of sodium;(5R)-5-[(8S,9S,10S,13S,14R,17R)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxan-2-one;hydride?
The IUPAC name of sodium;(5R)-5-[(8S,9S,10S,13S,14R,17R)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxan-2-one;hydride (CID 173328728) is sodium;(5R)-5-[(8S,9S,10S,13S,14R,17R)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxan-2-one;hydride.
What is the SMILES notation for sodium;(5R)-5-[(8S,9S,10S,13S,14R,17R)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxan-2-one;hydride?
The canonical SMILES for sodium;(5R)-5-[(8S,9S,10S,13S,14R,17R)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxan-2-one;hydride is C[C@]12CC[C@H]3[C@@H](CCC4C=CC=C[C@@]43C)[C@H]1CC[C@@H]2[C@H]1CCC(=O)OC1.[H-].[Na+].
What is the InChIKey of sodium;(5R)-5-[(8S,9S,10S,13S,14R,17R)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxan-2-one;hydride?
The InChIKey is FMWNWRGVWTTYME-VWKRLTJCSA-N. The full InChI is InChI=1S/C24H34O2.Na.H/c1-23-13-4-3-5-17(23)7-8-18-20-10-9-19(16-6-11-22(25)26-15-16)24(20,2)14-12-21(18)23;;/h3-5,13,16-21H,6-12,14-15H2,1-2H3;;/q;+1;-1/t16-,17?,18-,19+,20+,21-,23-,24+;;/m0../s1.
What are the key properties of sodium;(5R)-5-[(8S,9S,10S,13S,14R,17R)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxan-2-one;hydride?
sodium;(5R)-5-[(8S,9S,10S,13S,14R,17R)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxan-2-one;hydride has a molecular weight of 378.53 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(5R)-5-[(8S,9S,10S,13S,14R,17R)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-17-yl]oxan-2-one;hydride is sourced from PubChem (CID 173328728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).