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Chemical structure of 5-Dehydroepisterol

GC39589

5-Dehydroepisterol

Also known as (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

5-Dehydroepisterol is an episterol derivative and an?intermediate?in?steroid biosynthesis

ChemicalCAS23582-83-4MW396.65FormulaC28H44O
CAS number
23582-83-4
Molecular weight
396.65
Formula
C28H44O
Solubility
DMSO ： 1 mg/mL (2·52 mM; ultrasonic and warming and heat to 60°C)
InChIKey
ZEPNVCGPJXYABB-LOIOQLKMSA-N
Catalogue number
GC39589
Brand
GLPBIO
Computed properties PubChem CID 10894570 · XLogP 8 · TPSA 20.2 Ų · H-bond donors 1
XLogP
8
TPSA
20.2 Ų
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
29

SMILES C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C

Computed descriptors from PubChem (CID 10894570), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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