Chem
J-GLOBAL ID：200907018626967910   Nikkaji number：J83.531E

(22E)-Ergosta-4,6,8(14),22-tetren-3-one

(22E)-エルゴスタ-4,6,8(14),22-テトラエン-3-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： C28H40O
Molecular formula furigana： C28-H40-O
Molecular weight： 392.627
InChI： InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1
InChI key： OIMXTYUHMBQQJM-HSVWHVBGSA-N
SMILES： CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (4)：
  • (22E,24R)-エルゴスタ-4,6,8(14),22-テトラエン-3-オン
  • (22E)-エルゴスタ-4,6,8(14),22-テトラエン-3-オン
  • (1R,9aR,9bR,11aR)-1-[(2R,3E,5R)-5,6-ジメチルヘプタ-3-エン-2-イル]-9a,11a-ジメチル-1H,2H,3H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (1R,9aR,9bR,11aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (1)：
  • (22E)-Ergosta-4,6,8(14),22-tetren-3-one
Thsaurus map：
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