3-O-Acetyl-20-Hydroxyecdysone

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Catalog Number ACM22961688
Product Name 3-O-Acetyl-20-Hydroxyecdysone
CAS Number 22961-68-8
IUPAC Name [(2R,3S,5S,9R,10R,13R,17S)-2,14-dihydroxy-10,13-dimethyl-6-oxo-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Molecular Weight 522.67
Molecular Formula C29H46O8
Canonical SMILES CC(=O)OC1CC2C(=O)C=C3C(C2(CC1O)C)CCC4(C3(CCC4C(C)(C(CCC(C)(C)O)O)O)O)C
Inchi InChI=1S/C29H46O8/c1-16(30)37-22-14-19-20(31)13-18-17(26(19,4)15-21(22)32)7-11-27(5)23(8-12-29(18,27)36)28(6,35)24(33)9-10-25(2,3)34/h13,17,19,21-24,32-36H,7-12,14-15H2,1-6H3/t17-,19+,21+,22-,23-,24+,26+,27+,28+,29?/m0/s1
InChIKey UWFCFVQTAHITKV-KXZFJHPISA-N
Purity 98%
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