Chem
J-GLOBAL ID：200907052430924168   Nikkaji number：J1.538.661D

(22E,24R)-3β-(β-D-Glucopyranosyloxy)-5,8α-epidioxy-5α-ergosta-6,9(11),22-triene

(22E,24R)-3β-(β-D-グルコピラノシルオキシ)-5,8α-エピジオキシ-5α-エルゴスタ-6,9(11),22-トリエン
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： C34H52O8
Molecular formula furigana： C34-H52-O8
Molecular weight： 588.782
InChI： InChI=1S/C34H52O8/c1-19(2)20(3)7-8-21(4)23-9-10-25-31(23,5)13-12-26-32(6)14-11-22(17-33(32)15-16-34(25,26)42-41-33)39-30-29(38)28(37)27(36)24(18-35)40-30/h7-8,12,15-16,19-25,27-30,35-38H,9-11,13-14,17-18H2,1-6H3/b8-7+/t20-,21+,22-,23+,24+,25+,27+,28-,29+,30+,31+,32+,33+,34-/m0/s1
InChI key： PIUDVAYSOWOHCO-UFXGVOTHSA-N
SMILES： CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@@H](C[C@]43OO[C@@]21C=C4)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (22E,24R)-3β-(β-D-グルコピラノシルオキシ)-5,8α-エピジオキシ-5α-エルゴスタ-6,9(11),22-トリエン
  • (2R,3R,4S,5S,6R)-2-{[(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-ジメチルヘプタ-3-エン-2-イル]-6,10-ジメチル-16,17-ジオキサペンタシクロ[13.2.2.01,9.02,6.010,15]ノナデカ-8,18-ジエン-13-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
  • (2R,3R,4S,5S,6R)-2-{[(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-13-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • (22E,24R)-3β-(β-D-Glucopyranosyloxy)-5,8α-epidioxy-5α-ergosta-6,9(11),22-triene
Thsaurus map：
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