Chem
J-GLOBAL ID：200907022116684580   Nikkaji number：J2.068.989G

(22E)-5,8-Epidioxy-5α-ergosta-6,9(11),22-triene-3β-ol

(22E)-5,8-エピジオキシ-5α-エルゴスタ-6,9(11),22-トリエン-3β-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： C28H42O3
Molecular formula furigana： C28-H42-O3
Molecular weight： 426.641
InChI： InChI=1S/C28H42O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,18-23,29H,9-11,13-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,25+,26+,27+,28+/m0/s1
InChI key： FWPYIYVSYQRISA-XXHNQMERSA-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](O)C[C@]43OO[C@]21C=C4
Systematic name  (3)：
  • (22E)-5,8-エピジオキシ-5α-エルゴスタ-6,9(11),22-トリエン-3β-オール
  • (1R,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-オール
  • (1R,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-ol
Other name (1)：
  • (22E)-5,8-Epidioxy-5α-ergosta-6,9(11),22-triene-3β-ol
Thsaurus map：
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