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Chemical structure of Kamebakaurin

GC39093

Kamebakaurin

Also known as (2R,4R,8S,9R,10S,16S)-2,8,16-trihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one

Kamebakaurin, a compound of kaurane diterpenes was isolated from traditional Chinese medicinal plant Isodon excia

ChemicalCAS73981-34-7MW350.45FormulaC20H30O5
CAS number
73981-34-7
Molecular weight
350.45
Formula
C20H30O5
Solubility
DMSO ： 100 mg/mL (297·25 mM; Need ultrasonic)
InChIKey
WHSUEVLJUHPROF-NGMGQJSWSA-N
Catalogue number
GC39093
Brand
GLPBIO
Computed properties PubChem CID 3035697 · XLogP 1.4 · TPSA 98 Ų · H-bond donors 4
XLogP
1.4
TPSA
98 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
25

SMILES CC1(CC[C@@H]([C@@]2([C@@H]1C[C@H](C34[C@H]2CCC([C@@H]3O)C(=C)C4=O)O)CO)O)C

Computed descriptors from PubChem (CID 3035697), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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