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Chemical structure of 3α-Acetoxyurs-5:12-dien-24-oic acid

GC68543

3α-Acetoxyurs-5:12-dien-24-oic acid

Also known as (3R,4R,6aR,6bS,8aR,11R,12S,12aR,14aS,14bR)-3-acetyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,6,7,8,9,10,11,12,12a,14,14a-dodecahydro-1H-picene-4-carboxylic acid

3α-Acetoxyurs-5:12-dien-24-oic acid is a natural product that can be isolated from Boswellia sacra Fluckiger

ChemicalCAS1649436-95-2MW496.72FormulaC32H48O4
CAS number
1649436-95-2
Molecular weight
496.72
Formula
C32H48O4
InChIKey
KFADRGGKRWPNDE-KMMZLYOWSA-N
Catalogue number
GC68543
Brand
GLPBIO
Computed properties PubChem CID 164886421 · XLogP 7.5 · TPSA 63.6 Ų · H-bond donors 1
XLogP
7.5
TPSA
63.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
36

SMILES C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC=C5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C

Computed descriptors from PubChem (CID 164886421), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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