(3S,7R,8R,9S,10R,13S,14S)-7,10,13,16-tetramethyl-17-pyrrolidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol

C25H39NO — CID 67224883

IUPAC(3S,7R,8R,9S,10R,13S,14S)-7,10,13,16-tetramethyl-17-pyrrolidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SMILESCC1=C(C2CCCN2)[C@@]2(C)CC[C@H]3[C@@H]([C@@H](C)C=C4C[C@@H](O)CC[C@@]43C)[C@@H]2C1
InChIInChI=1S/C25H39NO/c1-15-12-17-14-18(27)7-9-24(17,3)19-8-10-25(4)20(22(15)19)13-16(2)23(25)21-6-5-11-26-21/h12,15,18-22,26-27H,5-11,13-14H2,1-4H3/t15-,18-,19-,20-,21?,22+,24-,25-/m0/s1
InChIKeyOUXNEHWFKFXHPU-FVGXFLRESA-N
MW369.59 g/mol
LogP5.23
Rot. Bonds1

About (3S,7R,8R,9S,10R,13S,14S)-7,10,13,16-tetramethyl-17-pyrrolidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol

(3S,7R,8R,9S,10R,13S,14S)-7,10,13,16-tetramethyl-17-pyrrolidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol (PubChem CID 67224883) has the molecular formula C25H39NO and a molecular weight of 369.59 g/mol. Its IUPAC name is (3S,7R,8R,9S,10R,13S,14S)-7,10,13,16-tetramethyl-17-pyrrolidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol.

Molecular Properties

Compound Name(3S,7R,8R,9S,10R,13S,14S)-7,10,13,16-tetramethyl-17-pyrrolidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
PubChem CID67224883
Molecular FormulaC25H39NO
Molecular Weight369.59 g/mol
Exact Mass369.30
IUPAC Name(3S,7R,8R,9S,10R,13S,14S)-7,10,13,16-tetramethyl-17-pyrrolidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SMILESCC1=C(C2CCCN2)[C@@]2(C)CC[C@H]3[C@@H]([C@@H](C)C=C4C[C@@H](O)CC[C@@]43C)[C@@H]2C1
InChIInChI=1S/C25H39NO/c1-15-12-17-14-18(27)7-9-24(17,3)19-8-10-25(4)20(22(15)19)13-16(2)23(25)21-6-5-11-26-21/h12,15,18-22,26-27H,5-11,13-14H2,1-4H3/t15-,18-,19-,20-,21?,22+,24-,25-/m0/s1
InChIKeyOUXNEHWFKFXHPU-FVGXFLRESA-N
XLogP5.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.59
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S,7R,8R,9S,10R,13S,14S)-7,10,13,16-tetramethyl-17-pyrrolidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,7R,8R,9S,10R,13S,14S)-7,10,13,16-tetramethyl-17-pyrrolidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol?
The IUPAC name of (3S,7R,8R,9S,10R,13S,14S)-7,10,13,16-tetramethyl-17-pyrrolidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol (CID 67224883) is (3S,7R,8R,9S,10R,13S,14S)-7,10,13,16-tetramethyl-17-pyrrolidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol.
What is the SMILES notation for (3S,7R,8R,9S,10R,13S,14S)-7,10,13,16-tetramethyl-17-pyrrolidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol?
The canonical SMILES for (3S,7R,8R,9S,10R,13S,14S)-7,10,13,16-tetramethyl-17-pyrrolidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol is CC1=C(C2CCCN2)[C@@]2(C)CC[C@H]3[C@@H]([C@@H](C)C=C4C[C@@H](O)CC[C@@]43C)[C@@H]2C1.
What is the InChIKey of (3S,7R,8R,9S,10R,13S,14S)-7,10,13,16-tetramethyl-17-pyrrolidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol?
The InChIKey is OUXNEHWFKFXHPU-FVGXFLRESA-N. The full InChI is InChI=1S/C25H39NO/c1-15-12-17-14-18(27)7-9-24(17,3)19-8-10-25(4)20(22(15)19)13-16(2)23(25)21-6-5-11-26-21/h12,15,18-22,26-27H,5-11,13-14H2,1-4H3/t15-,18-,19-,20-,21?,22+,24-,25-/m0/s1.
What are the key properties of (3S,7R,8R,9S,10R,13S,14S)-7,10,13,16-tetramethyl-17-pyrrolidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol?
(3S,7R,8R,9S,10R,13S,14S)-7,10,13,16-tetramethyl-17-pyrrolidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol has a molecular weight of 369.59 g/mol, XLogP of 5.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7R,8R,9S,10R,13S,14S)-7,10,13,16-tetramethyl-17-pyrrolidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 67224883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).