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Substance Name: Ajugamarin D 1
RN: 121480-72-6
InChIKey: PCXVVBLCDMHQIP-PVHCJARNSA-N

Molecular Formula

  • C29-H44-O11

Molecular Weight

  • 568.656
 
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Names and Synonyms

Results Name

  • Ajugamarin D 1

Synonym

  • Ajugamarin D 1

Systematic Name

  • Butanoic acid, 2-methyl-, 4,4a-bis((acetyloxy)methyl)-8-(2-(2,5-dihydro-5-oxo-3-furanyl)-2-hydroxyethyl)decahydro-4,5-dihydroxy-7,8-dimethyl-1-naphthalenyl ester, (1R-(1alpha(S*),4beta,4abeta,5beta,7beta,8alphaS*),8aalpha))-

Registry Numbers

CAS Registry Number

  • 121480-72-6

System Generated Number

  • 0121480726

Structure Descriptors

InChI

1S/C29H44O11/c1-7-16(2)26(35)40-22-8-9-28(36,14-38-18(4)30)29(15-39-19(5)31)23(33)10-17(3)27(6,25(22)29)12-21(32)20-11-24(34)37-13-20/h11,16-17,21-23,25,32-33,36H,7-10,12-15H2,1-6H3/t16-,17+,21-,22+,23-,25+,27-,28-,29+/m0/s1

InChIKey

PCXVVBLCDMHQIP-PVHCJARNSA-N

Smiles

C([C@H](CC)C)(=O)O[C@@H]1CC[C@]([C@@]2([C@H](C[C@H]([C@@]([C@@H]12)(C)C[C@H](O)C=1COC(C1)=O)C)O)COC(=O)C)(O)COC(=O)C