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Substance Name: Ajugamarin H 1
RN: 122616-88-0
InChIKey: YUTIPMUBYJJHKA-CKTDTYOHSA-N

Molecular Formula

  • C34-H48-O11

Molecular Weight

  • 632.742
 
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Names and Synonyms

  • Ajugamarin H 1

Registry Numbers

CAS Registry Number

  • 122616-88-0

System Generated Number

  • 0122616880

Structure Descriptors

InChI

1S/C34H48O11/c1-9-19(3)30(38)44-25-11-12-33(17-42-33)34(18-41-22(6)35)27(43-23(7)36)13-21(5)32(8,29(25)34)15-26(24-14-28(37)40-16-24)45-31(39)20(4)10-2/h10,14,19,21,25-27,29H,9,11-13,15-18H2,1-8H3/b20-10+/t19-,21+,25+,26-,27-,29+,32-,33?,34+/m0/s1

InChIKey

YUTIPMUBYJJHKA-CKTDTYOHSA-N

Smiles

C(\C(=C\C)C)(=O)O[C@@H](C[C@@]1([C@H]2[C@@H](CC[C@@]3([C@@]2([C@H](C[C@H]1C)OC(=O)C)COC(=O)C)OC3)OC([C@H](CC)C)=O)C)C=1COC(C1)=O