Chem
J-GLOBAL ID:200907099196192014   Nikkaji number:J754.284D

(22E,24R)-5,6β-Epoxy-3β,11α-diacetoxy-5β-ergosta-2,22-dien-1-one

(22E,24R)-5,6β-エポキシ-3β,11α-ジアセトキシ-5β-エルゴスタ-2,22-ジエン-1-オン
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: C32H46O6
Molecular formula furigana: C32-H46-O6
Molecular weight: 526.714
InChI: InChI=1S/C32H46O6/c1-17(2)18(3)9-10-19(4)24-11-12-25-23-14-28-32(38-28)15-22(36-20(5)33)13-27(35)31(32,8)29(23)26(37-21(6)34)16-30(24,25)7/h9-10,13,17-19,23-26,28-29H,11-12,14-16H2,1-8H3/b10-9+/t18-,19+,23-,24+,25-,26+,28+,29+,30+,31+,32+/m0/s1
InChI key: YBAUGCUQZXWKLG-FZYOYDSLSA-N
SMILES: CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@@]54CC(=CC(=O)[C@]5(C)[C@H]3[C@@H](C[C@]12C)OC(=O)C)OC(=O)C
Systematic name  (3):
  • (22E,24R)-5,6β-エポキシ-3β,11α-ジアセトキシ-5β-エルゴスタ-2,22-ジエン-1-オン
  • (1S,2R,7S,9R,11S,12S,15R,16R,18R)-5-(アセチルオキシ)-15-[(2R,3E,5R)-5,6-ジメチルヘプタ-3-エン-2-イル]-2,16-ジメチル-3-オキソ-8-オキサペンタシクロ[9.7.0.02,7.07,9.012,16]オクタデカ-4-エン-18-イル アセタート
  • (1S,2R,7S,9R,11S,12S,15R,16R,18R)-5-(acetyloxy)-15-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-18-yl acetate
Other name (1):
  • (22E,24R)-5,6β-Epoxy-3β,11α-diacetoxy-5β-ergosta-2,22-dien-1-one
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