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Chemical structure of Alisol F

GC30371

Alisol F

Also known as (1S,2R,4S,6S,8R,12S,13S,14S,19R)-6-[(1R)-1,2-dihydroxy-2-methylpropyl]-12-hydroxy-1,2,8,14,18,18-hexamethyl-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-9-en-17-one

Alisol F is a triterpene isolated from Alisma orientalis, has immunosuppressive and anti-virus functions

ChemicalCAS155521-45-2MW488.7FormulaC30H48O5
CAS number
155521-45-2
Molecular weight
488.7
Formula
C30H48O5
Solubility
DMSO ： 100 mg/mL (204·62 mM; Need ultrasonic)
InChIKey
YNKJSQIXVXWFBK-SLGDLKFASA-N
Catalogue number
GC30371
Brand
GLPBIO
Computed properties PubChem CID 76310822 · XLogP 3.5 · TPSA 87 Ų · H-bond donors 3
XLogP
3.5
TPSA
87 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
35

SMILES C[C@@H]1C[C@H](O[C@@H]2C1=C3C[C@@H]([C@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@@]4([C@]3(C2)C)C)(C)C)C)O)[C@H](C(C)(C)O)O

Computed descriptors from PubChem (CID 76310822), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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