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Chemical structure of Siraitic Acid B

GC37641

Siraitic Acid B

Also known as (E,6R)-2-methyl-6-[(1R,4S,5S,8R,9R,12R,13S,17R)-5,9,17-trimethyl-11,16-dioxo-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadecan-8-yl]hept-2-enoic acid

Siraitic Acid B is a cucurbitane triterpenoid isolated from the root of S· grosvenori

ChemicalCAS183374-16-5MW470.64FormulaC29H42O5
CAS number
183374-16-5
Molecular weight
470.64
Formula
C29H42O5
Solubility
Soluble in DMSO
InChIKey
MCUZNXISZNDGTB-HQNZZVEPSA-N
Catalogue number
GC37641
Brand
GLPBIO
Computed properties PubChem CID 138911438 · XLogP 4.8 · TPSA 80.7 Ų · H-bond donors 1
XLogP
4.8
TPSA
80.7 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
34

SMILES C[C@H]1C(=O)CC[C@@H]2[C@]13CC[C@@H]4[C@@]2(CO3)C(=O)C[C@]5([C@]4(CC[C@@H]5[C@H](C)CC/C=C(\C)/C(=O)O)C)C

Computed descriptors from PubChem (CID 138911438), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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