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Chemical structure of Tormentic acid

GC39085

Tormentic acid

Also known as (1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Tormentic acid, a triterpene isolated from Rosa rugosa, exerts anti-inflammatory, antihyperlipidemic, and anti-atherogenic properties

ChemicalCAS13850-16-3MW488.7FormulaC30H48O5
CAS number
13850-16-3
Molecular weight
488.7
Formula
C30H48O5
Solubility
DMSO : 50 mg/mL (102·31 mM; Need ultrasonic)
InChIKey
OXVUXGFZHDKYLS-BLIWDXROSA-N
Catalogue number
GC39085
Brand
GLPBIO
Computed properties PubChem CID 73193 · XLogP 5 · TPSA 98 Ų · H-bond donors 4
XLogP
5
TPSA
98 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
35

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

Computed descriptors from PubChem (CID 73193), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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