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Chemical structure of Triptotriterpenic acid C

GC71958

Triptotriterpenic acid C

Also known as (1R,2R,4S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-4,10-dihydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-2-carboxylic acid

Triptotriterpenic acid C is a ursolic-type acid that can be isolated from total glycosides extracted from the root of Tripterygium wilfordii Hook·f

ChemicalCAS123914-32-9MW472.7FormulaC30H48O4
CAS number
123914-32-9
Molecular weight
472.7
Formula
C30H48O4
InChIKey
IWVWTVWLRSUYNC-ULUYBTNLSA-N
Catalogue number
GC71958
Brand
GLPBIO
Computed properties PubChem CID 130072 · XLogP 6.2 · TPSA 77.8 Ų · H-bond donors 3
XLogP
6.2
TPSA
77.8 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
34

SMILES C[C@H]1[C@@H](C[C@@H]([C@]2([C@H]1C3=CC[C@@H]4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C)O)C(=O)O

Computed descriptors from PubChem (CID 130072), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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