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Substance Name: Asebotoxin IV
RN: 33476-73-2
InChIKey: UDJBPAUQWLWDFT-VLIWMQKJSA-N

Molecular Formula

  • C23-H38-O8

Molecular Weight

  • 442.5452
 
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Names and Synonyms

Results Name

  • Asebotoxin IV

Systematic Name

  • Grayanotoxane-3,5,6,7,10,14,16-heptol, 6-propanoate, (3beta,6beta,7alpha,14R)-

Registry Numbers

CAS Registry Number

  • 33476-73-2

System Generated Number

  • 0033476732

Structure Descriptors

InChI

1S/C23H38O8/c1-6-15(25)31-18-17(27)22-10-20(4,28)11(16(22)26)7-8-12(22)21(5,29)13-9-14(24)19(2,3)23(13,18)30/h11-14,16-18,24,26-30H,6-10H2,1-5H3/t11?,12-,13-,14-,16+,17+,18+,20+,21+,22+,23-/m0/s1

InChIKey

UDJBPAUQWLWDFT-VLIWMQKJSA-N

Smiles

CCC(=O)O[C@@H]1[C@H]([C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]4[C@]1(C([C@H](C4)O)(C)C)O)(C)O)(C)O)O