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Chemical structure of Nigranoic acid

GC61134

Nigranoic acid

Also known as (Z)-6-[8-(2-carboxyethyl)-4,13-dimethyl-7-prop-1-en-2-yl-14-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoic acid

Nigranoic acid is a triterpenoid separated from Schisandra chinensis

ChemicalCAS39111-07-4MW470.68FormulaC30H46O4
CAS number
39111-07-4
Molecular weight
470.68
Formula
C30H46O4
InChIKey
YITJRPBGPLTGRG-FBHDLOMBSA-N
Catalogue number
GC61134
Brand
GLPBIO
Computed properties PubChem CID 6442622 · XLogP 8.5 · TPSA 74.6 Ų · H-bond donors 2
XLogP
8.5
TPSA
74.6 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
34

SMILES CC(CC/C=C(/C)\C(=O)O)C1C2(C13CCC4(CCC(C4(C3CCC2)CCC(=O)O)C(=C)C)C)C

Computed descriptors from PubChem (CID 6442622), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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