Chem
J-GLOBAL ID：200907035363891762   Nikkaji number：J1.613.407D

(24R)-24-(β-D-Glucopyranosyloxy)cucurbita-5-ene-3β,11α,25-triol

(24R)-24-(β-D-グルコピラノシルオキシ)ククルビタ-5-エン-3β,11α,25-トリオール
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： C36H62O9
Molecular formula furigana： C36-H62-O9
Molecular weight： 638.883
InChI： InChI=1S/C36H62O9/c1-19(9-14-27(33(4,5)43)45-31-30(42)29(41)28(40)23(18-37)44-31)20-15-16-34(6)24-12-10-21-22(11-13-25(38)32(21,2)3)36(24,8)26(39)17-35(20,34)7/h10,19-20,22-31,37-43H,9,11-18H2,1-8H3/t19-,20-,22-,23-,24+,25+,26-,27-,28-,29+,30-,31+,34+,35-,36+/m1/s1
InChI key： UNCMRQFSKAVFQU-QZGPORMMSA-N
SMILES： C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C
Systematic name  (4)：
  • [(10α,24R)-3β,11α,25-トリヒドロキシ-9β-メチル-19-ノルラノスタ-5-エン-24-イル]β-D-グルコピラノシド
  • (24R)-24-(β-D-グルコピラノシルオキシ)ククルビタ-5-エン-3β,11α,25-トリオール
  • (2S,3R,4S,5S,6R)-2-{[(3R,6R)-6-[(1R,3aS,3bS,7S,9aR,9bR,10R,11aR)-7,10-ジヒドロキシ-3a,6,6,9b,11a-ペンタメチル-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-1-イル]-2-ヒドロキシ-2-メチルヘプタン-3-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-{[(3R,6R)-6-[(1R,3aS,3bS,7S,9aR,9bR,10R,11aR)-7,10-dihydroxy-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-hydroxy-2-methylheptan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (2)：
  • [(10α,24R)-3β,11α,25-Trihydroxy-9β-methyl-19-norlanosta-5-ene-24-yl]β-D-glucopyranoside
  • (24R)-24-(β-D-Glucopyranosyloxy)cucurbita-5-ene-3β,11α,25-triol
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