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Substance Name: Chaetoglobosin B diacetate
RN: 50416-39-2
InChIKey: HIIMMOUMDJFOOS-CGJNIZBGSA-N

Molecular Formula

  • C36-H40-N2-O7

Molecular Weight

  • 612.719
 
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Names and Synonyms

Results Name

  • Chaetoglobosin B diacetate

Synonyms

  • (7S,13E,16S,17E,19R,21E)-7,19-Bis(acetyloxy)-10-(1H-indol-3-yl)-16,18-dimethyl-(13)cytochalasa-5,13,17,21-tetraene-1,20,23-trione
  • Chaetoglobosin B diacetate

Systematic Name

  • (13)Cytochalasa-5,13,17,21-tetraene-1,20,23-trione, 7,19-bis(acetyloxy)-10-(1H-indol-3-yl)-16,18-dimethyl-, (7S,13E,16S,17E,19R,21E)-

Registry Numbers

CAS Registry Number

  • 50416-39-2

Other Registry Number

  • 55636-99-2

System Generated Number

  • 0050416392

Structure Descriptors

InChI

1S/C36H40N2O7/c1-19-10-9-12-27-34(45-24(6)40)22(4)21(3)32-29(17-25-18-37-28-13-8-7-11-26(25)28)38-35(43)36(27,32)31(42)15-14-30(41)33(20(2)16-19)44-23(5)39/h7-9,11-16,18-19,27,29,32-34,37H,10,17H2,1-6H3,(H,38,43)/b12-9+,15-14+,20-16-/t19-,27-,29-,32-,33+,34+,36?/m0/s1

InChIKey

HIIMMOUMDJFOOS-CGJNIZBGSA-N

Smiles

C1([C@@]23C(N[C@H]([C@@H]2C(C)=C(C)[C@H](OC(C)=O)[C@@H]3C=CC[C@@H](C=C([C@H](C(C=C1)=O)OC(C)=O)C)C)Cc1c[nH]c2c1cccc2)=O)=O