20-Methyl-5-pregnen-3beta-ol

Substructure search Find similar structures

Basic information

CAS: 1042-59-7
Standard SMILES: CC(C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey: COSKITFSCAETCX-BIBIXIOVSA-N
Molecular formula: C22H36O
Average molar mass: 316.5 g/mol
Monoisotopic mass: 316.27661577

Overview

20-Methylpregn-5-en-3-ol has been reported in Petrosia ficiformis with data available.

Names & identifiers

Preferred name: 20-Methyl-5-pregnen-3beta-ol
IUPAC: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
English name: 20-methylpregn-5-en-3 beta-ol
Molecular weight: 0

Names & synonyms

20-Methyl-5-pregnen-3beta-olRefChem:91029720-Methylpregn-5-en-3beta-ol1042-59-720-methylpregn-5-en-3 beta-olGuneribol(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol23,24-Dinor-5-cholen-3-ol23,24-Dinorchol-5-en-3beta-ol20-Methylpregn-5-en-3-olDTXSID90908864Pregn-5-en-3-ol, 20-methyl-, (3beta)-

Database identifiers

CAS: 1042-59-7
PubChem CID: 150873
DTXSID: DTXSID90908864
Nikkaji: J697.664F

Properties

Computed structural properties

XLogP: 6.3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 23
Formal charge: 0
Complexity: 506

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Pregna-5,20-dien-3-ol, 20-methyl-, 3-acetate, (3β)-Pregn-5-ene-3,20-diol, 20-methyl-, 3-acetate, (3β)-

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…