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Substance Name: Ajugareptansone A
RN: 79495-92-4
InChIKey: XUXQPEZRTLXTOS-AWZHNGPISA-N

Molecular Weight

  • 548.625
 
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Names and Synonyms

Name of Substance

  • Ajugareptansone A

Systematic Name

  • Butanoic acid, 2-methyl-, (1R,2S,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-((acetyloxy)methyl)-5-(2-(2,5-dihydro-5-oxo-3-furanyl)ethyl)octahydro-5,6-dimethyl-4-oxospiro(naphthalene-1(2H),2'-oxiran)-2-yl ester, (2S)-

Registry Numbers

CAS Registry Number

  • 79495-92-4

System Generated Number

  • 0079495924

Structure Descriptors

InChI

1S/C29H40O10/c1-7-16(2)26(34)39-23-12-21(32)25-27(6,9-8-20-11-24(33)35-13-20)17(3)10-22(38-19(5)31)28(25,14-36-18(4)30)29(23)15-37-29/h11,16-17,22-23,25H,7-10,12-15H2,1-6H3/t16-,17+,22-,23?,25+,27-,28+,29+/m0/s1

InChIKey

XUXQPEZRTLXTOS-AWZHNGPISA-N

Smiles

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