Chemical Compound

(4aR,5R,6S,7S,8aR)-8a-Ethenyloctahydro-5-hydroxy-7-[[2-(hydroxymethyl)-1-oxo-2-propenyl]oxy]-a,4-bis(methylene)-3-oxo-1H-2-Benzopyran-6-acetic Acid Methyl Ester;[4aR-(4aa,5a,6ss,7a,8aa)]-8a-Ethenyloctahydro-5-hydroxy-7-[[2-(hydroxymethyl)-1-oxo-2-propenyl]oxy]-a,4-bis(methylene)-3-oxo-1H-2-Benzopyran-6-acetic Acid Methyl Ester;

CAS Registry Number 65388-17-2
(4aR,5R,6S,7S,8aR)-8a-Ethenyloctahydro-5-hydroxy-7-[[2-(hydroxymethyl)-1-oxo-2-propenyl]oxy]-a,4-bis(methylene)-3-oxo-1H-2-Benzopyran-6-acetic Acid Methyl Ester;[4aR-(4aa,5a,6ss,7a,8aa)]-8a-Ethenyloctahydro-5-hydroxy-7-[[2-(hydroxymethyl)-1-oxo-2-propenyl]oxy]-a,4-bis(methylene)-3-oxo-1H-2-Benzopyran-6-acetic Acid Methyl Ester; 结构式
Primary record

(4aR,5R,6S,7S,8aR)-8a-Ethenyloctahydro-5-hydroxy-7-[[2-(hydroxymethyl)-1-oxo-2-propenyl]oxy]-a,4-bis(methylene)-3-oxo-1H-2-Benzopyran-6-acetic Acid Methyl Ester;[4aR-(4aa,5a,6ss,7a,8aa)]-8a-Ethenyloctahydro-5-hydroxy-7-[[2-(hydroxymethyl)-1-oxo-2-propenyl]oxy]-a,4-bis(methylene)-3-oxo-1H-2-Benzopyran-6-acetic Acid Methyl Ester;

库存
5,055 克
纯度
98.6 %
CAS
65388-17-2

化合物标识与属性

CAS
65388-17-2
PubChem CID
442318
SMILES
COC(=O)C(=C)[C@@H]1[C@H](C[C@@]2(COC(=O)C(=C)[C@@H]2[C@H]1O)C=C)OC(=O)C(=C)CO
Canonical SMILES
C=C[C@@]12COC(=O)C(=C)[C@@H]1[C@@H](O)[C@H](C(=C)C(=O)OC)[C@@H](OC(=O)C(=C)CO)C2

名称与同义词

  • Vernodalol
  • vern
  • AC1L9CLB
  • RefChem:193997
  • DTXSID10331796
  • CHEBI:9960
  • CHEMBL1172876
  • SCHEMBL27828019
  • DTXCID10282890
  • ZINC4098206
  • CID442318
  • ZINC04098206
  • CID:442318
  • Vernodalol, >=95% (LC/MS-ELSD)
  • C09577
  • 65388-17-2
  • J20.180D
  • SID:521251128
  • Q27108534
  • C000602211
  • [(4aR,5R,6S,7S,8aR)-8a-ethenyl-5-hydroxy-6-(3-methoxy-3-oxoprop-1-en-2-yl)-4-methylidene-3-oxo-1,4a,5,6,7,8-hexahydroisochromen-7-yl] 2-(hydroxymethyl)prop-2-enoate
  • ((4aR,5R,6S,7S,8aR)-5-hydroxy-6-(1-methoxycarbonylvinyl)-4-methylene-3-oxo-8a-vinyl-1,4a,5,6,7,8-hexahydroisochromen-7-yl) 2-(hydroxymethyl)prop-2-enoate
  • ((4aR,5R,6S,7S,8aR)-8a-ethenyl-5-hydroxy-6-(3-methoxy-3-oxoprop-1-en-2-yl)-4-methylidene-3-oxo-1,4a,5,6,7,8-hexahydroisochromen-7-yl) 2-(hydroxymethyl)prop-2-enoate
  • (4aR)-3,4,4abeta,5,6,7,8,8a-Octahydro-8abeta-vinyl-5beta-hydroxy-7beta-[(2-hydroxymethyl-1-oxo-2-propenyl)oxy]-alpha,4-bis(methylene)-3-oxo-1H-2-benzopyran-6alpha-acetic acid methyl ester
  • (4aR,5R,6S,7S,8aR)-8a-ethenyl-5-hydroxy-6-(3-methoxy-3-oxoprop-1-en-2-yl)-4-methylidene-3-oxo-octahydro-1H-2-benzopyran-7-yl 2-(hydroxymethyl)prop-2-enoate
  • (4aR,5R,6S,7S,8aR)-8a-Ethenyloctahydro-5-hydroxy-7-[[2-(hydroxymethyl)-1-oxo-2-propenyl]oxy]-a,4-bis(methylene)-3-oxo-1H-2-Benzopyran-6-acetic Acid Methyl Ester;[4aR-(4aa,5a,6ss,7a,8aa)]-8a-Ethenyloctahydro-5-hydroxy-7-[[2-(hydroxymethyl)-1-oxo-2-propenyl]oxy]-a,4-bis(methylene)-3-oxo-1H-2-Benzopyran-6-acetic Acid Methyl Ester;
  • [(4aR,5R,6S,7S,8aR)-5-hydroxy-6-(1-methoxycarbonylvinyl)-4-methylene-3-oxo-8a-vinyl-1,4a,5,6,7,8-hexahydroisochromen-7-yl] 2-(hydroxymethyl)prop-2-enoate
  • Methyl 2-[(4aR,5R,6S,7S,8aR)-8a-ethenyl-5-hydroxy-7-{[2-(hydroxymethyl)prop-2-enoyl]oxy}-4-methylidene-3-oxooctahydro-1H-2-benzopyran-6-yl]prop-2-enoate