Chem
J-GLOBAL ID:200907000061371133   Nikkaji number:J1.530.752H

3-[3-(4-Hydroxy-3-methoxyphenyl)acryloyloxy]-9,19-cycloergosta-24-ene

3-[3-(4-ヒドロキシ-3-メトキシフェニル)アクリロイルオキシ]-9,19-シクロエルゴスタ-24-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: C38H54O4
Molecular formula furigana: C38-H54-O4
Molecular weight: 574.846
InChI: InChI=1S/C38H54O4/c1-24(2)25(3)7-8-26(4)30-13-14-31-32-12-11-28-22-29(17-18-37(28)23-38(32,37)20-19-36(30,31)5)42-35(40)16-10-27-9-15-33(39)34(21-27)41-6/h9-10,15-16,21,26,28-32,39H,7-8,11-14,17-20,22-23H2,1-6H3/t26-,28?,29?,30-,31+,32+,36-,37-,38+/m1/s1
InChI key: MFOAGANJXUQUCN-ALDXIWEBSA-N
SMILES: COc1cc(C=CC(=O)OC2CC[C@]34C[C@@]53CC[C@]3(C)[C@H](CC[C@H]3[C@@H]5CCC4C2)[C@H](C)CCC(=C(C)C)C)ccc1O
Systematic name  (3):
  • 3-[3-(4-ヒドロキシ-3-メトキシフェニル)アクリロイルオキシ]-9,19-シクロエルゴスタ-24-エン
  • (1S,3R,11S,12S,15R,16R)-15-[(2R)-5,6-ジメチルヘプタ-5-エン-2-イル]-16-メチルペンタシクロ[9.7.0.01,3.03,8.012,16]オクタデカン-6-イル 3-(4-ヒドロキシ-3-メトキシフェニル)プロパ-2-エノアート
  • (1S,3R,11S,12S,15R,16R)-15-[(2R)-5,6-dimethylhept-5-en-2-yl]-16-methylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Other name (1):
  • 3-[3-(4-Hydroxy-3-methoxyphenyl)acryloyloxy]-9,19-cycloergosta-24-ene
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