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Chemical structure of Acetylshengmanol Arabinoside

GC35235

Acetylshengmanol Arabinoside

Also known as [(1R,3R)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3-[(1S,3R,6S,8R,11R,12S,13R,15R,16R)-13-hydroxy-7,7,12,16-tetramethyl-14-oxo-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]butyl] acetate

Acetylshengmanol Arabinoside is isolated from Cimicifugae rhizoma

ChemicalCAS402513-88-6MW662.85FormulaC37H58O10
CAS number
402513-88-6
Molecular weight
662.85
Formula
C37H58O10
Solubility
DMSO : 250 mg/mL (377·16 mM; Need ultrasonic)
InChIKey
IHEJMZHKJYHVFF-NETQQFODSA-N
Catalogue number
GC35235
Brand
GLPBIO
Computed properties PubChem CID 10865257 · XLogP 4.2 · TPSA 155 Ų · H-bond donors 4
XLogP
4.2
TPSA
155 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
47

SMILES C[C@H](C[C@H]([C@H]1C(O1)(C)C)OC(=O)C)[C@H]2C(=O)[C@@H]([C@@]3([C@@]2(CC[C@]45[C@H]3CC[C@@H]6[C@]4(C5)CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O)C)C)O

Computed descriptors from PubChem (CID 10865257), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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