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Chemical structure of Taraxerone

GC63605

Taraxerone

Also known as (4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one

Taraxerone is isolated from Sedum sarmentosum

ChemicalCAS514-07-8MW424.7FormulaC30H48O
CAS number
514-07-8
Molecular weight
424.7
Formula
C30H48O
Solubility
THF ： 10 mg/mL (23·55 mM; Need ultrasonic); DMSO ： < 1 mg/mL (insoluble or slightly soluble)
InChIKey
DBCAVZSSFGIHQZ-YLAYQGCQSA-N
Catalogue number
GC63605
Brand
GLPBIO
Computed properties PubChem CID 92785 · XLogP 9 · TPSA 17.1 Ų · H-bond donors 0
XLogP
9
TPSA
17.1 Ų
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
31

SMILES C[C@]12CCC(C[C@H]1[C@@]3(CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4(C3=CC2)C)(C)C)C)C)(C)C

Computed descriptors from PubChem (CID 92785), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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