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Chemical structure of Saikogenin D

GC39053

Saikogenin D

Also known as (3S,4R,4aR,6aR,6bS,8R,8aS,14aR,14bS)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicene-3,8-diol

Saikogenin D is isolated from?Bupleurum chinense, has anti-inflammatory effects

ChemicalCAS5573-16-0MW472.7FormulaC30H48O4
CAS number
5573-16-0
Molecular weight
472.7
Formula
C30H48O4
Solubility
Soluble in DMSO
InChIKey
QGNVMEXLLPGQEV-IULQVHCXSA-N
Catalogue number
GC39053
Brand
GLPBIO
Computed properties PubChem CID 9890994 · XLogP 5.8 · TPSA 80.9 Ų · H-bond donors 4
XLogP
5.8
TPSA
80.9 Ų
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
34

SMILES C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2C=CC4=C5CC(CC[C@@]5([C@@H](C[C@]43C)O)CO)(C)C)C)(C)CO)O

Computed descriptors from PubChem (CID 9890994), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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