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Substance Name: Isonimocinolide
RN: 104494-23-7
InChIKey: UFRCPJTWTQCCQS-MESDDMLDSA-N

Molecular Formula

  • C28-H36-O7

Molecular Weight

  • 484.585
 
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Names and Synonyms

Results Name

  • Isonimocinolide

Synonyms

  • (+)-Isonimocinolide
  • Isonimocinolide

Systematic Name

  • Carda-1,14,20(22)-trienolide, 7-(acetyloxy)-6,20-dihydroxy-4,4,8-trimethyl-3-oxo-, (5alpha,6alpha,7alpha,13alpha,17alpha)-

Registry Numbers

CAS Registry Number

  • 104494-23-7

System Generated Number

  • 0104494237

Structure Descriptors

InChI

1S/C28H36O7/c1-14(29)34-23-21(32)22-25(2,3)19(30)10-12-27(22,5)18-9-11-26(4)16(7-8-17(26)28(18,23)6)15-13-20(31)35-24(15)33/h8,10,12-13,16,18,21-24,32-33H,7,9,11H2,1-6H3/t16-,18+,21+,22-,23+,24?,26-,27+,28?/m0/s1

InChIKey

UFRCPJTWTQCCQS-MESDDMLDSA-N

Smiles

C1(=O)C=C[C@@]2([C@H]3CC[C@@]4([C@@H](CC=C4[C@@]3([C@H](OC(=O)C)[C@@H](O)[C@@H]2C1(C)C)C)C=1[C@@H](OC(C1)=O)O)C)C