Chem
J-GLOBAL ID：200907082431420127   Nikkaji number：J524.571K

Cayaponoside D

カヤポノシドD
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C35H52O12
Molecular formula furigana： C35-H52-O12
Molecular weight： 664.789
InChI： InChI=1S/C35H52O12/c1-16-17-8-9-22-32(4)13-19(37)29(35(7,45)23(38)10-11-31(2,3)44)33(32,5)14-24(39)34(22,6)18(17)12-20(25(16)40)46-30-28(43)27(42)26(41)21(15-36)47-30/h10-12,19,21-23,26-30,36-38,40-45H,8-9,13-15H2,1-7H3/b11-10+/t19-,21-,22+,23?,26-,27+,28-,29+,30-,32+,33-,34+,35+/m1/s1
InChI key： MATZMSBOEUIXMX-OIVSLDCNSA-N
SMILES： Cc1c(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c1CC[C@H]1[C@]3(C)C[C@@H](O)[C@H]([C@@](C)(O)C(O)/C=C/C(C)(C)O)[C@@]3(C)CC(=O)[C@@]21C
Systematic name  (3)：
  • (23E)-2-(β-D-グルコピラノシルオキシ)-3,16α,20,22,25-ペンタヒドロキシ-4,9β,14-トリメチル-19-ノルコレスタ-1,3,5(10),23-テトラエン-11-オン
  • (1R,2R,3aS,3bS,9bR,11aR)-2,7-ジヒドロキシ-3a,6,9b,11a-テトラメチル-8-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-1-[(2R,4E)-2,3,6-トリヒドロキシ-6-メチルヘプタ-4-エン-2-イル]-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-10-オン
  • (1R,2R,3aS,3bS,9bR,11aR)-2,7-dihydroxy-3a,6,9b,11a-tetramethyl-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-[(2R,4E)-2,3,6-trihydroxy-6-methylhept-4-en-2-yl]-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-one
Other name (3)：
  • カヤポノシドD
  • Cayaponoside D
  • (23E)-2-(β-D-Glucopyranosyloxy)-3,16α,20,22,25-pentahydroxy-4,9β,14-trimethyl-19-norcholesta-1,3,5(10),23-tetraen-11-one
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