Chemical Compound

(1R,3S,11S,12S,14R,21Z,24S,31R,44S)-12-hydroxy-14-[2-(hydroxymethyl)prop-2-enyl]-1,3,11,24,31,41,44-heptamethyl-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-39-one

CAS Registry Number 85079-48-7
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(1R,3S,11S,12S,14R,21Z,24S,31R,44S)-12-hydroxy-14-[2-(hydroxymethyl)prop-2-enyl]-1,3,11,24,31,41,44-heptamethyl-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-39-one 结构式
Primary record

(1R,3S,11S,12S,14R,21Z,24S,31R,44S)-12-hydroxy-14-[2-(hydroxymethyl)prop-2-enyl]-1,3,11,24,31,41,44-heptamethyl-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-39-one

库存
2,695 克
纯度
99.3 %
CAS
85079-48-7

化合物标识与属性

CAS
85079-48-7
PubChem CID
16760325
SMILES
C[C@@H]1CC2C(C[C@]3(C(O2)CC4C(O3)C(=CC(=O)O4)C)C)OC5C1OC6CC7[C@](CC8[C@@](O7)(C/C=C\C9C(O8)CC1C(O9)CC2[C@@](O1)([C@H](C[C@H](O2)CC(=C)CO)O)C)C)(O[C@@]6(CC5)C)C
Canonical SMILES
C=C(CO)C[C@@H]1C[C@H](O)[C@]2(C)OC3CC4OC5C[C@]6(C)O[C@]7(C)CCC8OC9C[C@]%10(C)OC%11C(C)=CC(=O)OC%11CC%10OC9C[C@@H](C)C8OC7CC6O[C@@]5(C)C/C=C\C4OC3CC2O1

名称与同义词

  • Pumiliotoxin
  • Dihydrobrevetoxin B
  • brevetoxin GB-3
  • Brevetoxin PbTx-3, Ptychodiscus brevis
  • (1R,3S,11S,12S,14R,21Z,24S,31R,44S)-12-hydroxy-14-[2-(hydroxymethyl)prop-2-enyl]-1,3,11,24,31,41,44-heptamethyl-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-39-one
  • 85079-48-7