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Chemical structure of 25-O-Methylalisol A

GC35083

25-O-Methylalisol A

Also known as (5R,8S,9S,10S,11S,14R)-17-[(2R,4S,5R)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one

25-O-Methylalisol A is a protostane triterpenoids isolated from Alisma orientale

ChemicalCAS155801-00-6MW504.74FormulaC31H52O5
CAS number
155801-00-6
Molecular weight
504.74
Formula
C31H52O5
Solubility
Soluble in DMSO
InChIKey
GSXGAZVWBLDJCJ-HQLNBPMCSA-N
Catalogue number
GC35083
Brand
GLPBIO
Computed properties PubChem CID 102004721 · XLogP 4.4 · TPSA 87 Ų · H-bond donors 3
XLogP
4.4
TPSA
87 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
36

SMILES C[C@H](C[C@@H]([C@H](C(C)(C)OC)O)O)C1=C2C[C@@H]([C@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3([C@]2(CC1)C)C)(C)C)C)O

Computed descriptors from PubChem (CID 102004721), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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