(8S,9R,10R,13S,14S)-3-(methoxymethoxy)-10-(methoxymethyl)-13-methyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene

C23H38O3 — CID 90373860

IUPAC(8S,9R,10R,13S,14S)-3-(methoxymethoxy)-10-(methoxymethyl)-13-methyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene
SMILESC=C1CC[C@H]2[C@@H]3CCC4CC(OCOC)CC[C@]4(COC)[C@@H]3CC[C@]12C
InChIInChI=1S/C23H38O3/c1-16-5-8-20-19-7-6-17-13-18(26-15-25-4)9-12-23(17,14-24-3)21(19)10-11-22(16,20)2/h17-21H,1,5-15H2,2-4H3/t17?,18?,19-,20-,21+,22+,23+/m0/s1
InChIKeyUEZVWKBNFPWGEV-PUOVXEKKSA-N
MW362.55 g/mol
LogP5.20
Rot. Bonds5

About (8S,9R,10R,13S,14S)-3-(methoxymethoxy)-10-(methoxymethyl)-13-methyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene

(8S,9R,10R,13S,14S)-3-(methoxymethoxy)-10-(methoxymethyl)-13-methyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene (PubChem CID 90373860) has the molecular formula C23H38O3 and a molecular weight of 362.55 g/mol. Its IUPAC name is (8S,9R,10R,13S,14S)-3-(methoxymethoxy)-10-(methoxymethyl)-13-methyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene.

Molecular Properties

Compound Name(8S,9R,10R,13S,14S)-3-(methoxymethoxy)-10-(methoxymethyl)-13-methyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene
PubChem CID90373860
Molecular FormulaC23H38O3
Molecular Weight362.55 g/mol
Exact Mass362.28
IUPAC Name(8S,9R,10R,13S,14S)-3-(methoxymethoxy)-10-(methoxymethyl)-13-methyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene
SMILESC=C1CC[C@H]2[C@@H]3CCC4CC(OCOC)CC[C@]4(COC)[C@@H]3CC[C@]12C
InChIInChI=1S/C23H38O3/c1-16-5-8-20-19-7-6-17-13-18(26-15-25-4)9-12-23(17,14-24-3)21(19)10-11-22(16,20)2/h17-21H,1,5-15H2,2-4H3/t17?,18?,19-,20-,21+,22+,23+/m0/s1
InChIKeyUEZVWKBNFPWGEV-PUOVXEKKSA-N
XLogP5.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.55
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (8S,9R,10R,13S,14S)-3-(methoxymethoxy)-10-(methoxymethyl)-13-methyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,5S,8S,9S,10S,11S,13S,14S)-3-(methoxymethoxy)-10,13-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-11-ol
CID 86731981
(5R,8R,9S,10R,13S,14S)-3-hydroxy-10-(methoxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 130378610
ethane;(3S,10R,13S,17E)-17-ethylidene-10-(methoxymethyl)-3,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene
CID 144797492
(3R,5R,8S,9S,10R,13S,14S,17Z)-17-ethylidene-10-(methoxymethyl)-3,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 122452673
(3R,5S,8S,9S,10R,13S,14S)-17-ethylidene-3,10-bis(methoxymethyl)-13-methyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 159390755
7-[[(3R,5R,8R,9S,10S,13S,14S)-10,13-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-7-oxoheptanoic acid
CID 130339203
[(3R,5S,8R,9S,10S,13S,14S)-3-(methoxymethoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] trifluoromethanesulfonate
CID 25068062
(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene
CID 173324612
(NE)-N-[(5S,8R,9S,10R,13S,14S)-3-[tert-butyl(dimethyl)silyl]oxy-10-(2-methoxyethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine
CID 174074666
(17Z)-17-ethylidene-3,13-dimethyl-10-(propan-2-yloxymethyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene
CID 145142679
(3R,5S,8R,9S,10R,13S,14S,17Z)-17-ethylidene-10-(2-methoxyethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 174117959
3-(2-aminoethoxy)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 75600389

Frequently Asked Questions

What is the IUPAC name of (8S,9R,10R,13S,14S)-3-(methoxymethoxy)-10-(methoxymethyl)-13-methyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene?
The IUPAC name of (8S,9R,10R,13S,14S)-3-(methoxymethoxy)-10-(methoxymethyl)-13-methyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene (CID 90373860) is (8S,9R,10R,13S,14S)-3-(methoxymethoxy)-10-(methoxymethyl)-13-methyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene.
What is the SMILES notation for (8S,9R,10R,13S,14S)-3-(methoxymethoxy)-10-(methoxymethyl)-13-methyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene?
The canonical SMILES for (8S,9R,10R,13S,14S)-3-(methoxymethoxy)-10-(methoxymethyl)-13-methyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene is C=C1CC[C@H]2[C@@H]3CCC4CC(OCOC)CC[C@]4(COC)[C@@H]3CC[C@]12C.
What is the InChIKey of (8S,9R,10R,13S,14S)-3-(methoxymethoxy)-10-(methoxymethyl)-13-methyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene?
The InChIKey is UEZVWKBNFPWGEV-PUOVXEKKSA-N. The full InChI is InChI=1S/C23H38O3/c1-16-5-8-20-19-7-6-17-13-18(26-15-25-4)9-12-23(17,14-24-3)21(19)10-11-22(16,20)2/h17-21H,1,5-15H2,2-4H3/t17?,18?,19-,20-,21+,22+,23+/m0/s1.
What are the key properties of (8S,9R,10R,13S,14S)-3-(methoxymethoxy)-10-(methoxymethyl)-13-methyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene?
(8S,9R,10R,13S,14S)-3-(methoxymethoxy)-10-(methoxymethyl)-13-methyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene has a molecular weight of 362.55 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9R,10R,13S,14S)-3-(methoxymethoxy)-10-(methoxymethyl)-13-methyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene is sourced from PubChem (CID 90373860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).