Description
IUPAC Name: [(2S,3R,5R,9R,10R,13R,14S,17S)-3,14-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-2-yl] acetate
InChI: InChI=1S/C29H46O8/c1-16(30)37-22-15-26(4)17-7-11-27(5)23(28(6,35)24(33)9-10-25(2,3)34)8-12-29(27,36)18(17)13-20(31)19(26)14-21(22)32/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: TXLUXHSVMYTTCI-FORVDKSSSA-N
Canonical SMILES: CC(=O)OC1CC2(C3CCC4(C(CCC4(C3=CC(=O)C2CC1O)O)C(C)(C(CCC(C)(C)O)O)O)C)C
Isomeric SMILES: CC(=O)O[C@H]1C[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@]4(C3=CC(=O)[C@@H]2C[C@H]1O)O)[C@](C)([C@@H](CCC(C)(C)O)O)O)C)C
Synonyms: 2-O-Acetyl-20-hydroxyecdysone; 19536-25-5; ECDYSONE-2-ACETATE, BETA-(SH); [(2S,3R,5R,9R,10R,13R,14S,17S)-3,14-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-2-yl] acetate; 20-Hydroxyecdysone 2-acetate; HY-N6640; AKOS037515039; MS-29690; …
Botanical Source: Cyanotis arachnoides C.B.Clarke