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Substance Name: Ajugamarin A 2
RN: 122587-82-0
InChIKey: IAAHUGSOWYSQSN-XIFOBMOHSA-N

Molecular Formula

  • C31-H42-O11

Molecular Weight

  • 590.662
 
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Names and Synonyms

Results Name

  • Ajugamarin A 2

Synonym

  • Ajugamarin A 2

Systematic Name

  • 2-Butenoic acid, 2-methyl-, 8-(acetyloxy)-5-(2-(acetyloxy)-2-(2,5-dihydro-5-oxo-3-furanyl)ethyl)-8a-((acetyloxy)methyl)octahydro-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-4-yl ester, (1R-(1alpha,4beta(E),4abeta,5beta(S*),6alpha,8alpha,8aalpha))-

Registry Numbers

CAS Registry Number

  • 122587-82-0

System Generated Number

  • 0122587820

Structure Descriptors

InChI

1S/C31H42O11/c1-8-17(2)28(36)42-23-9-10-30(15-39-30)31(16-38-19(4)32)25(41-21(6)34)11-18(3)29(7,27(23)31)13-24(40-20(5)33)22-12-26(35)37-14-22/h8,12,18,23-25,27H,9-11,13-16H2,1-7H3/b17-8+/t18-,23-,24+,25+,27-,29+,30?,31-/m1/s1

InChIKey

IAAHUGSOWYSQSN-XIFOBMOHSA-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](C=1COC(C1)=O)OC(=O)C)C)OC(=O)C)COC(=O)C)OC2