Chemical Compound

(1R,2S,4R,5R,8R,9S,11R)-9-ormyl-2-[[(2R,3S,4S,5R,6R)-3-hydroxy-4-[(2Z,5E)-7-hydroxy-2-methyl-4-oxoocta-2,5-dienoyl]oxy-5-methoxy-6-methyloxan-2-yl]oxymethyl]-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid

CAS Registry Number 439665-94-8
(1R,2S,4R,5R,8R,9S,11R)-9-ormyl-2-[[(2R,3S,4S,5R,6R)-3-hydroxy-4-[(2Z,5E)-7-hydroxy-2-methyl-4-oxoocta-2,5-dienoyl]oxy-5-methoxy-6-methyloxan-2-yl]oxymethyl]-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid 结构式
Primary record

(1R,2S,4R,5R,8R,9S,11R)-9-ormyl-2-[[(2R,3S,4S,5R,6R)-3-hydroxy-4-[(2Z,5E)-7-hydroxy-2-methyl-4-oxoocta-2,5-dienoyl]oxy-5-methoxy-6-methyloxan-2-yl]oxymethyl]-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid

库存
8,397 克
纯度
98.9 %
CAS
439665-94-8

化合物标识与属性

CAS
439665-94-8
PubChem CID
139586979
SMILES
C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5[C@H]([C@@H]([C@@H]([C@H](O5)C)OC)OC(=O)/C(=C\C(=O)/C=C/C(C)O)/C)O
Canonical SMILES
CO[C@H]1[C@@H](OC(=O)/C(C)=C\C(=O)/C=C/C(C)O)[C@H](O)[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@@]34C(=O)O)O[C@@H]1C

名称与同义词

  • Neosordarin
  • neo-sordarin
  • RefChem:165404
  • orb3024086
  • CHEBI:209485
  • BBF-02118
  • 439665-94-8
  • (1R,2S,4R,5R,8R,9S,11R)-9-ormyl-2-[[(2R,3S,4S,5R,6R)-3-hydroxy-4-[(2Z,5E)-7-hydroxy-2-methyl-4-oxoocta-2,5-dienoyl]oxy-5-methoxy-6-methyloxan-2-yl]oxymethyl]-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid