Structure

Benzyl ursolate

CAS
192211-41-9
Catalog Number
ACM192211419
Category
Other Products
Molecular Weight
546.82
Molecular Formula
C37H54O3

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Specification

Synonyms
(3β)-3-Hydroxy-urs-12-en-28-oic acid phenylmethyl ester;(3beta)-3-Hydroxy-urs-12-en-28-oic acid phenylmethyl ester;Benzyl ursolate
IUPAC Name
benzyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
Canonical SMILES
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)OCC6=CC=CC=C6
InChI Key
FUFAPKOCRZYSHH-CVTBAMPXSA-N
Exact Mass
546.40700
H-Bond Acceptor
3
H-Bond Donor
1
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