Chem
J-GLOBAL ID：200907025264775054   Nikkaji number：J524.569I

Cayaponoside B

カヤポノシドB
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： C35H50O11
Molecular formula furigana： C35-H50-O11
Molecular weight： 646.774
InChI： InChI=1S/C35H50O11/c1-16(2)8-11-24(38)35(7,44)30-20(37)13-32(4)23-10-9-18-17(3)26(40)21(12-19(18)34(23,6)25(39)14-33(30,32)5)45-31-29(43)28(42)27(41)22(15-36)46-31/h8,11-12,20,22-24,27-31,36-38,40-44H,1,9-10,13-15H2,2-7H3/b11-8+/t20-,22-,23+,24?,27-,28+,29-,30+,31-,32+,33-,34+,35+/m1/s1
InChI key： LGFDUXHZEFIFMU-FXYIIYSLSA-N
SMILES： CC(=C)/C=C/C(O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CCc4c(C)c(O)c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4[C@]3(C)C(=O)C[C@]12C
Systematic name  (3)：
  • (23E)-2-(β-D-グルコピラノシルオキシ)-3,16α,20,22-テトラヒドロキシ-4,9β,14-トリメチル-19-ノルコレスタ-1,3,5(10),23,25-ペンタエン-11-オン
  • (1R,2R,3aS,3bS,9bR,11aR)-1-[(2R,4E)-2,3-ジヒドロキシ-6-メチルヘプタ-4,6-ジエン-2-イル]-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}-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)-1-[(2R,4E)-2,3-dihydroxy-6-methylhepta-4,6-dien-2-yl]-2,7-dihydroxy-3a,6,9b,11a-tetramethyl-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-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B
  • Cayaponoside B
  • (23E)-2-(β-D-Glucopyranosyloxy)-3,16α,20,22-tetrahydroxy-4,9β,14-trimethyl-19-norcholesta-1,3,5(10),23,25-penten-11-one
Thsaurus map：
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