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Chemical structure of Eriocalyxin B

GC60153

Eriocalyxin B

Also known as (1S,2S,5R,8S,9S,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-13-ene-7,15-dione

Eriocalyxin B is an ent-Kaurene diterpenoid isolated from Chinese herb Isodon eriocalyx

ChemicalCAS84745-95-9MW344.4FormulaC20H24O5
CAS number
84745-95-9
Molecular weight
344.4
Formula
C20H24O5
InChIKey
RTIKCEKESDRWAE-UJVKWQRCSA-N
Catalogue number
GC60153
Brand
GLPBIO
Computed properties PubChem CID 16202215 · XLogP 1.1 · TPSA 83.8 Ų · H-bond donors 2
XLogP
1.1
TPSA
83.8 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
25

SMILES CC1(C=CC(=O)[C@]23[C@@H]1[C@@H]([C@]([C@]45[C@H]2CC[C@H](C4)C(=C)C5=O)(OC3)O)O)C

Computed descriptors from PubChem (CID 16202215), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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