(8R,9R,10R,13S,14S)-17,17-bis(1,2-dihydroxyethyl)-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-one

C23H36O5 — CID 67537232

IUPAC(8R,9R,10R,13S,14S)-17,17-bis(1,2-dihydroxyethyl)-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-one
SMILESC[C@]12CCCCC1=CC(=O)[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC2(C(O)CO)C(O)CO
InChIInChI=1S/C23H36O5/c1-21-8-4-3-5-14(21)11-17(26)20-15(21)6-9-22(2)16(20)7-10-23(22,18(27)12-24)19(28)13-25/h11,15-16,18-20,24-25,27-28H,3-10,12-13H2,1-2H3/t15-,16+,18?,19?,20-,21+,22+,23?/m1/s1
InChIKeyUFTQYVYFRSFMOV-BNZJPNPXSA-N
MW392.54 g/mol
LogP2.21
Rot. Bonds4

About (8R,9R,10R,13S,14S)-17,17-bis(1,2-dihydroxyethyl)-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-one

(8R,9R,10R,13S,14S)-17,17-bis(1,2-dihydroxyethyl)-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-one (PubChem CID 67537232) has the molecular formula C23H36O5 and a molecular weight of 392.54 g/mol. Its IUPAC name is (8R,9R,10R,13S,14S)-17,17-bis(1,2-dihydroxyethyl)-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-one.

Molecular Properties

Compound Name(8R,9R,10R,13S,14S)-17,17-bis(1,2-dihydroxyethyl)-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-one
PubChem CID67537232
Molecular FormulaC23H36O5
Molecular Weight392.54 g/mol
Exact Mass392.26
IUPAC Name(8R,9R,10R,13S,14S)-17,17-bis(1,2-dihydroxyethyl)-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-one
SMILESC[C@]12CCCCC1=CC(=O)[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC2(C(O)CO)C(O)CO
InChIInChI=1S/C23H36O5/c1-21-8-4-3-5-14(21)11-17(26)20-15(21)6-9-22(2)16(20)7-10-23(22,18(27)12-24)19(28)13-25/h11,15-16,18-20,24-25,27-28H,3-10,12-13H2,1-2H3/t15-,16+,18?,19?,20-,21+,22+,23?/m1/s1
InChIKeyUFTQYVYFRSFMOV-BNZJPNPXSA-N
XLogP2.21
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (8R,9R,10R,13S,14S)-17,17-bis(1,2-dihydroxyethyl)-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8R,9R,10R,13S,14S)-17,17-bis(1,2-dihydroxyethyl)-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-one?
The IUPAC name of (8R,9R,10R,13S,14S)-17,17-bis(1,2-dihydroxyethyl)-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-one (CID 67537232) is (8R,9R,10R,13S,14S)-17,17-bis(1,2-dihydroxyethyl)-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-one.
What is the SMILES notation for (8R,9R,10R,13S,14S)-17,17-bis(1,2-dihydroxyethyl)-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-one?
The canonical SMILES for (8R,9R,10R,13S,14S)-17,17-bis(1,2-dihydroxyethyl)-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-one is C[C@]12CCCCC1=CC(=O)[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC2(C(O)CO)C(O)CO.
What is the InChIKey of (8R,9R,10R,13S,14S)-17,17-bis(1,2-dihydroxyethyl)-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-one?
The InChIKey is UFTQYVYFRSFMOV-BNZJPNPXSA-N. The full InChI is InChI=1S/C23H36O5/c1-21-8-4-3-5-14(21)11-17(26)20-15(21)6-9-22(2)16(20)7-10-23(22,18(27)12-24)19(28)13-25/h11,15-16,18-20,24-25,27-28H,3-10,12-13H2,1-2H3/t15-,16+,18?,19?,20-,21+,22+,23?/m1/s1.
What are the key properties of (8R,9R,10R,13S,14S)-17,17-bis(1,2-dihydroxyethyl)-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-one?
(8R,9R,10R,13S,14S)-17,17-bis(1,2-dihydroxyethyl)-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-one has a molecular weight of 392.54 g/mol, XLogP of 2.21, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9R,10R,13S,14S)-17,17-bis(1,2-dihydroxyethyl)-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-one is sourced from PubChem (CID 67537232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).