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Substance Name: Ajugamarin A 1
RN: 78798-40-0
InChIKey: HZPBAEMQRBYDPW-CJARLIFWSA-N

Molecular Weight

  • 548.625
 
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Names and Synonyms

Results Name

  • Ajugamarin A 1

Synonym

  • Ajugamarin A 1

Systematic Name

  • 2-Butenoic acid, 2-methyl-, (1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-((acetyloxy)methyl)-5-((2S)-2-(2,5-dihydro-5-oxo-3-furanyl)-2-hydroxyethyl)octahydro-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-4-yl ester, (2E)-

Registry Numbers

CAS Registry Number

  • 78798-40-0

System Generated Number

  • 0078798400

Structure Descriptors

InChI

1S/C29H40O10/c1-7-16(2)26(34)39-22-8-9-28(14-37-28)29(15-36-18(4)30)23(38-19(5)31)10-17(3)27(6,25(22)29)12-21(32)20-11-24(33)35-13-20/h7,11,17,21-23,25,32H,8-10,12-15H2,1-6H3/b16-7+/t17-,21+,22-,23+,25-,27+,28+,29-/m1/s1

InChIKey

HZPBAEMQRBYDPW-CJARLIFWSA-N

Smiles

C(\C(=C\C)C)(=O)O[C@@H]1CC[C@@]2([C@@]3([C@H](C[C@H]([C@@]([C@@H]13)(C)C[C@H](O)C=1COC(C1)=O)C)OC(=O)C)COC(=O)C)OC2