Chem
J-GLOBAL ID：200907044482554633   Nikkaji number：J612.603K

Cayaponoside D3b

カヤポノシドD3b
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： C35H54O12
Molecular formula furigana： C35-H54-O12
Molecular weight： 666.805
InChI： InChI=1S/C35H54O12/c1-16-17-8-9-22-32(4)13-20(38)29(35(7,45)23(39)10-11-31(2,3)44)33(32,5)14-24(40)34(22,6)18(17)12-19(37)28(16)47-30-27(43)26(42)25(41)21(15-36)46-30/h8,18,20-23,25-27,29-30,36,38-39,41-45H,9-15H2,1-7H3/t18-,20+,21+,22-,23?,25+,26-,27+,29-,30-,32-,33+,34-,35-/m0/s1
InChI key： WEAVAQJCYFMSGG-MKUZEJFMSA-N
SMILES： CC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)C[C@H]2C1=CC[C@H]1[C@]3(C)C[C@@H](O)[C@H]([C@@](C)(O)C(O)CCC(C)(C)O)[C@@]3(C)CC(=O)[C@@]21C
Systematic name  (3)：
  • 3-(β-D-グルコピラノシルオキシ)-16α,20,22,25-テトラヒドロキシ-4,9β,14-トリメチル-19-ノルコレスタ-3,5-ジエン-2,11-ジオン
  • (1R,2R,3aS,3bS,9aS,9bR,11aR)-2-ヒドロキシ-3a,6,9b,11a-テトラメチル-7-{[(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)-2,3,6-トリヒドロキシ-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-8,10-ジオン
  • (1R,2R,3aS,3bS,9aS,9bR,11aR)-2-hydroxy-3a,6,9b,11a-tetramethyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-[(2R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-8,10-dione
Other name (3)：
  • カヤポノシドD3b
  • Cayaponoside D3b
  • 3-(β-D-Glucopyranosyloxy)-16α,20,22,25-tetrahydroxy-4,9β,14-trimethyl-19-norcholesta-3,5-diene-2,11-dione
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