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Chemical structure of Coronarin D

GC72010

Coronarin D

Also known as (3Z)-3-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-hydroxyoxolan-2-one

Coronarin D is a cytotoxic labdan-type diterpenes compound isolated from the rhizomes of H· coronarium

ChemicalCAS119188-37-3MW318.45FormulaC20H30O3
CAS number
119188-37-3
Molecular weight
318.45
Formula
C20H30O3
InChIKey
DYYYQLXAGIXUGM-FKKKBMQXSA-N
Catalogue number
GC72010
Brand
GLPBIO
Computed properties PubChem CID 52947373 · XLogP 5 · TPSA 46.5 Ų · H-bond donors 1
XLogP
5
TPSA
46.5 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
23

SMILES C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2C/C=C\3/CC(OC3=O)O)(C)C

Computed descriptors from PubChem (CID 52947373), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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