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Chemical structure of Meliasenin B

GC76339

Meliasenin B

Also known as (2S,4S,7R,8S,9S,12R,13R,16S,18R)-16-hydroxy-2,9,13,17,17-pentamethyl-7-(4-methylpent-3-enyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-1(20)-ene-6,19-dione

Meliasenin B (compound 2) is an apotirucallane-type triterpenoid

ChemicalCAS1221262-77-6MW468.67FormulaC30H44O4
CAS number
1221262-77-6
Molecular weight
468.67
Formula
C30H44O4
Solubility
Methanol： 5 mg/mL (10·67 mM; Need ultrasonic and warming)
InChIKey
OWDAIHNVLSQWBW-SQAWLGPQSA-N
Catalogue number
GC76339
Brand
GLPBIO
Computed properties PubChem CID 46210176 · XLogP 6.1 · TPSA 63.6 Ų · H-bond donors 1
XLogP
6.1
TPSA
63.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
34

SMILES CC(=CCC[C@@H]1[C@@H]2[C@H](C[C@]3([C@]2(CC[C@H]4C3=CC(=O)[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)OC1=O)C

Computed descriptors from PubChem (CID 46210176), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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