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Chemical structure of Alisol C

GC76369

Alisol C

Also known as (5R,8S,9S,10S,11S,14R)-17-[(2R,4S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-2,5,6,7,9,11,12,15-octahydro-1H-cyclopenta[a]phenanthrene-3,16-dione

Alisol C is a triterpene, can be isolated from dried tuber of A· orientalis Juzep

ChemicalCAS30489-27-1MW486.68FormulaC30H46O5
CAS number
30489-27-1
Molecular weight
486.68
Formula
C30H46O5
Solubility
DMSO： 100 mg/mL (205·47 mM; Need ultrasonic)
InChIKey
DORJGGFFCMZTHW-KXVAGGRESA-N
Catalogue number
GC76369
Brand
GLPBIO
Computed properties PubChem CID 101306923 · XLogP 3.9 · TPSA 87.1 Ų · H-bond donors 2
XLogP
3.9
TPSA
87.1 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
35

SMILES C[C@H](C[C@@H]([C@@H]1C(O1)(C)C)O)C2=C3C[C@@H]([C@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@@]4([C@]3(CC2=O)C)C)(C)C)C)O

Computed descriptors from PubChem (CID 101306923), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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