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Chemical structure of Glaucocalyxin B

GC33085

Glaucocalyxin B

Also known as [(2R,4S,9R,10S,16S)-2-hydroxy-5,5,9-trimethyl-14-methylidene-6,15-dioxo-16-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

Glaucocalyxin B is an ent kaurane diterpenoid isolated from the Chinese traditional medicine Rabdosia japonica with anticancer and antitumor activity; decreases the growth of HL-60 cells with an IC50 of approximately 5·86 μM at 24 h

ChemicalCAS80508-81-2MW374.47FormulaC22H30O5
CAS number
80508-81-2
Molecular weight
374.47
Formula
C22H30O5
Solubility
Soluble in DMSO
InChIKey
LSUXOKVMORWDLT-FFQMZICYSA-N
Catalogue number
GC33085
Brand
GLPBIO
Computed properties PubChem CID 196551 · XLogP 2.3 · TPSA 80.7 Ų · H-bond donors 1
XLogP
2.3
TPSA
80.7 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
27

SMILES CC(=O)O[C@H]1C2CC[C@@H]3C1([C@@H](C[C@H]4[C@]3(CCC(=O)C4(C)C)C)O)C(=O)C2=C

Computed descriptors from PubChem (CID 196551), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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