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Substance Name: Ajugasteron B
RN: 21490-21-1
InChIKey: ODENAQIZHMFEAO-BQBPTSSQSA-N

Molecular Formula

  • C29-H46-O7

Molecular Weight

  • 506.6754
 
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Names and Synonyms

Results Name

  • Ajugasteron B

Synonym

  • Ajugasterone B

Systematic Names

  • 5beta,20xi,24xi-Stigmasta-7,25-dien-6-one, 2beta,3beta,14,20,22,27-hexahydroxy-
  • Stigmasta-7,25-dien-6-one, 2,3,14,20,22,27-hexahydroxy-, (2beta,3beta,5beta,22R)-

Registry Numbers

CAS Registry Number

  • 21490-21-1

System Generated Number

  • 0021490211

Structure Descriptors

InChI

1S/C29H46O7/c1-6-17(16(2)15-30)11-25(34)28(5,35)24-8-10-29(36)19-12-21(31)20-13-22(32)23(33)14-26(20,3)18(19)7-9-27(24,29)4/h12,17-18,20,22-25,30,32-36H,2,6-11,13-15H2,1,3-5H3/t17-,18+,20+,22-,23+,24+,25-,26-,27-,28-,29-/m1/s1

InChIKey

ODENAQIZHMFEAO-BQBPTSSQSA-N

Smiles

CC[C@H](C[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O)C(=C)CO