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Chemical structure of Sandaracopimaric acid

GC73036

Sandaracopimaric acid

Also known as (1R,4aR,4bS,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid

Sandaracopimaric acid is a diterpenoid with anti-inflammatory effect

ChemicalCAS471-74-9MW302.45FormulaC20H30O2
CAS number
471-74-9
Molecular weight
302.45
Formula
C20H30O2
Solubility
DMSO ： 3·5 mg/mL (11·57 mM; Need ultrasonic and warming)
InChIKey
MHVJRKBZMUDEEV-KRFUXDQASA-N
Catalogue number
GC73036
Brand
GLPBIO
Computed properties PubChem CID 221580 · XLogP 5.5 · TPSA 37.3 Ų · H-bond donors 1
XLogP
5.5
TPSA
37.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
22

SMILES C[C@@]1(CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)C=C

Computed descriptors from PubChem (CID 221580), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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