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Chemical structure of 24-Epicastasterone

GC68508

24-Epicastasterone

Also known as (2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

24-epi-Castasterone is a brassinosteroid compound, which is a natural product that can be isolated from Hydrodictyon reticulatwn

ChemicalCAS72050-71-6MW464.68FormulaC28H48O5
CAS number
72050-71-6
Molecular weight
464.68
Formula
C28H48O5
Solubility
THF : 10 mg/mL (21·52 mM; Need ultrasonic)
InChIKey
VYUIKSFYFRVQLF-QONPFPPSSA-N
Catalogue number
GC68508
Brand
GLPBIO
Computed properties PubChem CID 11812633 · XLogP 4.7 · TPSA 98 Ų · H-bond donors 4
XLogP
4.7
TPSA
98 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
33

SMILES C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@H](C)C(C)C)O)O

Computed descriptors from PubChem (CID 11812633), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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