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Chemical structure of 1,2,3,19-Tetrahydroxy-12-ursen-28-oic acid

GC71868

1,2,3,19-Tetrahydroxy-12-ursen-28-oic acid

Also known as (1R,2R,4aS,6aS,6aS,6bR,8aS,10R,11S,12S,12aR,14bS)-1,10,11,12-tetrahydroxy-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

1,2,3,19-Tetrahydroxy-12-ursen-28-oic acid is a Triterpenoid that isolated from the plant of Agrimonia Pilosa with antimalarial and antidiabetic activities

ChemicalCAS113558-03-5MW504.7FormulaC30H48O6
CAS number
113558-03-5
Molecular weight
504.7
Formula
C30H48O6
Solubility
DMSO ： 50 mg/mL (99·07 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
VULLSLYDWNGNKZ-VVEUJWIUSA-N
Catalogue number
GC71868
Brand
GLPBIO
Computed properties PubChem CID 69624177 · XLogP 4 · TPSA 118 Ų · H-bond donors 5
XLogP
4
TPSA
118 Ų
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
36

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

Computed descriptors from PubChem (CID 69624177), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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