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Substance Name: Alisol B 23-monoacetate
RN: 26575-95-1
InChIKey: NLOAQXKIIGTTRE-CXWFPJGHSA-N

Note

  • From Alisma orientale rhizome.

Molecular Formula

  • C32-H50-O5

Molecular Weight

  • 514.742
 
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Names and Synonyms

Results Name

  • Alisol B 23-monoacetate

Synonyms

  • 23-O-Acetylalisol B
  • Alisol B 23-acetate
  • Alisol B 23-monoacetate

Systematic Names

  • 8alpha,9beta,14beta-Dammar-13(17)-en-3-one, 24,25-epoxy-11beta,23-dihydroxy-, 23-acetate, (23S,24R)-
  • Dammar-13(17)-en-3-one, 23-(acetyloxy)-24,25-epoxy-11-hydroxy-, (8alpha,9beta,11beta,14beta,23S,24R)-

Registry Numbers

CAS Registry Number

  • 26575-95-1

Other Registry Number

  • 26622-13-9

System Generated Number

  • 0026575951

Structure Descriptors

InChI

1S/C32H50O5/c1-18(16-23(36-19(2)33)27-29(5,6)37-27)20-10-14-31(8)21(20)17-22(34)26-30(7)13-12-25(35)28(3,4)24(30)11-15-32(26,31)9/h18,22-24,26-27,34H,10-17H2,1-9H3/t18?,22-,23?,24?,26?,27?,30-,31-,32-/m0/s1

InChIKey

NLOAQXKIIGTTRE-CXWFPJGHSA-N

Smiles

CC(CC(C1C(O1)(C)C)OC(=O)C)C2=C3C[C@@H](C4[C@]5(CCC(=O)C(C5CC[C@@]4([C@]3(CC2)C)C)(C)C)C)O