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Chemical structure of Ergosta-4,6,8(14),22-tetraen-3-one

GC72015

Ergosta-4,6,8(14),22-tetraen-3-one

Also known as (9R,10R,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one

Ergosta-4,6,8(14),22-tetraen-3-one (compound 2) is a ergosteroid is isolated from the fruiting bodies of ganoderma applanatum

ChemicalCAS19254-69-4MW392.62FormulaC28H40O
CAS number
19254-69-4
Molecular weight
392.62
Formula
C28H40O
Solubility
DMSO ： 20 mg/mL (50·94 mM; Need ultrasonic and warming; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
OIMXTYUHMBQQJM-HSVWHVBGSA-N
Catalogue number
GC72015
Brand
GLPBIO
Computed properties PubChem CID 6441416 · XLogP 6.8 · TPSA 17.1 Ų · H-bond donors 0
XLogP
6.8
TPSA
17.1 Ų
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
29

SMILES C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@@]4([C@H]3CC[C@]12C)C

Computed descriptors from PubChem (CID 6441416), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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