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

C24H37NO — CID 67224784

IUPAC(3S,7R,8R,9S,10R,13S,14S)-7,10,13-trimethyl-17-pyrrolidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SMILESC[C@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(C4CCCN4)=CC[C@H]3[C@H]12
InChIInChI=1S/C24H37NO/c1-15-13-16-14-17(26)8-10-23(16,2)20-9-11-24(3)18(21-5-4-12-25-21)6-7-19(24)22(15)20/h6,13,15,17,19-22,25-26H,4-5,7-12,14H2,1-3H3/t15-,17-,19-,20-,21?,22-,23-,24+/m0/s1
InChIKeyADHHYJNQEJDWRU-PAAYBOLLSA-N
MW355.57 g/mol
LogP4.84
Rot. Bonds1

About (3S,7R,8R,9S,10R,13S,14S)-7,10,13-trimethyl-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-trimethyl-17-pyrrolidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol (PubChem CID 67224784) has the molecular formula C24H37NO and a molecular weight of 355.57 g/mol. Its IUPAC name is (3S,7R,8R,9S,10R,13S,14S)-7,10,13-trimethyl-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-trimethyl-17-pyrrolidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
PubChem CID67224784
Molecular FormulaC24H37NO
Molecular Weight355.57 g/mol
Exact Mass355.29
IUPAC Name(3S,7R,8R,9S,10R,13S,14S)-7,10,13-trimethyl-17-pyrrolidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SMILESC[C@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(C4CCCN4)=CC[C@H]3[C@H]12
InChIInChI=1S/C24H37NO/c1-15-13-16-14-17(26)8-10-23(16,2)20-9-11-24(3)18(21-5-4-12-25-21)6-7-19(24)22(15)20/h6,13,15,17,19-22,25-26H,4-5,7-12,14H2,1-3H3/t15-,17-,19-,20-,21?,22-,23-,24+/m0/s1
InChIKeyADHHYJNQEJDWRU-PAAYBOLLSA-N
XLogP4.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.57
LogP ≤ 54.84
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-trimethyl-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-trimethyl-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-trimethyl-17-pyrrolidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol (CID 67224784) is (3S,7R,8R,9S,10R,13S,14S)-7,10,13-trimethyl-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-trimethyl-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-trimethyl-17-pyrrolidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol is C[C@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(C4CCCN4)=CC[C@H]3[C@H]12.
What is the InChIKey of (3S,7R,8R,9S,10R,13S,14S)-7,10,13-trimethyl-17-pyrrolidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol?
The InChIKey is ADHHYJNQEJDWRU-PAAYBOLLSA-N. The full InChI is InChI=1S/C24H37NO/c1-15-13-16-14-17(26)8-10-23(16,2)20-9-11-24(3)18(21-5-4-12-25-21)6-7-19(24)22(15)20/h6,13,15,17,19-22,25-26H,4-5,7-12,14H2,1-3H3/t15-,17-,19-,20-,21?,22-,23-,24+/m0/s1.
What are the key properties of (3S,7R,8R,9S,10R,13S,14S)-7,10,13-trimethyl-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-trimethyl-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 355.57 g/mol, XLogP of 4.84, 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-trimethyl-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 67224784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).