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Substance Name: Ascochalasin
RN: 116095-60-4
InChIKey: UMLABRQRQZKXDI-RLZBTEQJSA-N

Molecular Formula

  • C29-H39-N-O4

Molecular Weight

  • 465.63
 
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Names and Synonyms

Results Name

  • Ascochalasin

Synonym

  • Ascochalasin

Registry Numbers

CAS Registry Number

  • 116095-60-4

System Generated Number

  • 0116095604

Structure Descriptors

InChI

1S/C29H39NO4/c1-18-9-7-13-22(31)15-16-25(32)29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14,18-19,22-24,26-27,31,33H,3,7,9-10,13,15-17H2,1-2H3,(H,30,34)/b14-8+/t18-,19-,22-,23+,24+,26+,27-,29?/m1/s1

InChIKey

UMLABRQRQZKXDI-RLZBTEQJSA-N

Smiles

N1[C@H]([C@H]2[C@@]3(C1=O)C(CC[C@H](O)CCC[C@@H](C)CC=C[C@H]3[C@@H](C([C@H]2C)=C)O)=O)Cc1ccccc1