Chem
J-GLOBAL ID：200907054647957679   Nikkaji number：J656.577H

Cabenoside D

カベノシド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： C36H60O9
Molecular formula furigana： C36-H60-O9
Molecular weight： 636.867
InChI： InChI=1S/C36H60O9/c1-19(9-13-25(38)33(4,5)43)20-15-16-34(6)24-12-10-21-22(36(24,8)26(39)17-35(20,34)7)11-14-27(32(21,2)3)45-31-30(42)29(41)28(40)23(18-37)44-31/h10,19-20,22-25,27-31,37-38,40-43H,9,11-18H2,1-8H3/t19-,20-,22-,23-,24+,25-,27+,28-,29+,30-,31+,34+,35-,36+/m1/s1
InChI key： XMWIWVZEGGOMAU-CDPRDXQRSA-N
SMILES： C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Systematic name  (4)：
  • (24R)-3β-(β-D-グルコピラノシルオキシ)-24,25-ジヒドロキシククルビタ-5-エン-11-オン
  • [(10α,24R)-24,25-ジヒドロキシ-9β-メチル-11-オキソ-19-ノルラノスタ-5-エン-3β-イル]β-D-グルコピラノシド
  • (1R,3aS,3bS,7S,9aR,9bR,11aR)-1-[(2R,5R)-5,6-ジヒドロキシ-6-メチルヘプタン-2-イル]-3a,6,6,9b,11a-ペンタメチル-7-{[(2R,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,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-10-オン
  • (1R,3aS,3bS,7S,9aR,9bR,11aR)-1-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3a,6,6,9b,11a-pentamethyl-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-one
Other name (4)：
  • カベノシドD
  • Cabenoside D
  • (24R)-3β-(β-D-Glucopyranosyloxy)-24,25-dihydroxycucurbit-5-en-11-one
  • [(10α,24R)-24,25-Dihydroxy-9β-methyl-11-oxo-19-norlanosta-5-ene-3β-yl]β-D-glucopyranoside
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