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Substance Name: Ivain II
RN: 79495-90-2
InChIKey: PWKXWHAZACEABO-JTWZBBRBSA-N

Molecular Formula

  • C28-H42-O9

Molecular Weight

  • 522.631
 
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Names and Synonyms

Results Name

  • Ivain II

Synonym

  • Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3beta)-

Systematic Names

  • Propanoic acid, 2-methyl-, (1R,2S,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-((acetyloxy)methyl)-5-((2S,3aR,6aS)-hexahydrofuro(2,3-b)furan-2-yl)octahydro-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-2-yl ester
  • Propanoic acid, 2-methyl-, 8-(acetyloxy)-8a-((acetyloxy)methyl)-5-(hexahydrofuro(2,3-b)furan-2-yl)octahydro-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-2-yl ester, (1R-(1alpha,2beta,4abeta,5beta(2S*,3aR*,6aS*),6alpha,8alpha,8aalpha))-

Registry Numbers

CAS Registry Number

  • 79495-90-2

System Generated Number

  • 0079495902

Structure Descriptors

InChI

1S/C28H42O9/c1-15(2)24(31)36-21-8-7-20-26(6,22-12-19-9-10-32-25(19)37-22)16(3)11-23(35-18(5)30)27(20,13-33-17(4)29)28(21)14-34-28/h15-16,19-23,25H,7-14H2,1-6H3/t16-,19-,20-,21+,22?,23+,25+,26+,27+,28-/m1/s1

InChIKey

PWKXWHAZACEABO-JTWZBBRBSA-N

Smiles

C(C(C)C)(=O)O[C@@H]1[C@@]2([C@@]3([C@H](C[C@H]([C@]([C@H]3CC1)(C)[C@@H]1C[C@@H]3[C@H](O1)OCC3)C)OC(=O)C)COC(=O)C)OC2