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

C24H37NO2 — CID 67245932

IUPAC(8S,9S,10R,13S,14S)-7,10,13-trimethyl-17-morpholin-4-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-1-ol
SMILESCC1C=C2CCCC(O)[C@]2(C)[C@H]2CC[C@]3(C)C(N4CCOCC4)=CC[C@H]3[C@H]12
InChIInChI=1S/C24H37NO2/c1-16-15-17-5-4-6-21(26)24(17,3)19-9-10-23(2)18(22(16)19)7-8-20(23)25-11-13-27-14-12-25/h8,15-16,18-19,21-22,26H,4-7,9-14H2,1-3H3/t16?,18-,19-,21?,22-,23-,24-/m0/s1
InChIKeyXJFHCHUMVFTLTF-FIUZLJGUSA-N
MW371.57 g/mol
LogP4.38
Rot. Bonds1

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

(8S,9S,10R,13S,14S)-7,10,13-trimethyl-17-morpholin-4-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-1-ol (PubChem CID 67245932) has the molecular formula C24H37NO2 and a molecular weight of 371.57 g/mol. Its IUPAC name is (8S,9S,10R,13S,14S)-7,10,13-trimethyl-17-morpholin-4-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-1-ol.

Molecular Properties

Compound Name(8S,9S,10R,13S,14S)-7,10,13-trimethyl-17-morpholin-4-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-1-ol
PubChem CID67245932
Molecular FormulaC24H37NO2
Molecular Weight371.57 g/mol
Exact Mass371.28
IUPAC Name(8S,9S,10R,13S,14S)-7,10,13-trimethyl-17-morpholin-4-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-1-ol
SMILESCC1C=C2CCCC(O)[C@]2(C)[C@H]2CC[C@]3(C)C(N4CCOCC4)=CC[C@H]3[C@H]12
InChIInChI=1S/C24H37NO2/c1-16-15-17-5-4-6-21(26)24(17,3)19-9-10-23(2)18(22(16)19)7-8-20(23)25-11-13-27-14-12-25/h8,15-16,18-19,21-22,26H,4-7,9-14H2,1-3H3/t16?,18-,19-,21?,22-,23-,24-/m0/s1
InChIKeyXJFHCHUMVFTLTF-FIUZLJGUSA-N
XLogP4.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (8S,9S,10R,13S,14S)-7,10,13-trimethyl-17-morpholin-4-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-1-ol?
The IUPAC name of (8S,9S,10R,13S,14S)-7,10,13-trimethyl-17-morpholin-4-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-1-ol (CID 67245932) is (8S,9S,10R,13S,14S)-7,10,13-trimethyl-17-morpholin-4-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-1-ol.
What is the SMILES notation for (8S,9S,10R,13S,14S)-7,10,13-trimethyl-17-morpholin-4-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-1-ol?
The canonical SMILES for (8S,9S,10R,13S,14S)-7,10,13-trimethyl-17-morpholin-4-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-1-ol is CC1C=C2CCCC(O)[C@]2(C)[C@H]2CC[C@]3(C)C(N4CCOCC4)=CC[C@H]3[C@H]12.
What is the InChIKey of (8S,9S,10R,13S,14S)-7,10,13-trimethyl-17-morpholin-4-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-1-ol?
The InChIKey is XJFHCHUMVFTLTF-FIUZLJGUSA-N. The full InChI is InChI=1S/C24H37NO2/c1-16-15-17-5-4-6-21(26)24(17,3)19-9-10-23(2)18(22(16)19)7-8-20(23)25-11-13-27-14-12-25/h8,15-16,18-19,21-22,26H,4-7,9-14H2,1-3H3/t16?,18-,19-,21?,22-,23-,24-/m0/s1.
What are the key properties of (8S,9S,10R,13S,14S)-7,10,13-trimethyl-17-morpholin-4-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-1-ol?
(8S,9S,10R,13S,14S)-7,10,13-trimethyl-17-morpholin-4-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-1-ol has a molecular weight of 371.57 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9S,10R,13S,14S)-7,10,13-trimethyl-17-morpholin-4-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-1-ol is sourced from PubChem (CID 67245932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).