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Substance Name: 4,4,24-Trimethylcholesta-8,14,24(28)-trien-2,3,11,12-tetrol 12-acetate-3-sulfate
RN: 131319-90-9
InChIKey: BGABDSBXSCYPTK-MUSHREFUSA-N

Note

  • Found in Fusarium spp. ; microbial steroid which inhibits the growth of fungi, bacteria, algea as well as the germination of both wheat & tomato seeds.

Molecular Formula

  • C32-H50-O8-S

Molecular Weight

  • 594.805
 
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Names and Synonyms

Name of Substance

  • 4,4,24-Trimethylcholesta-8,14,24(28)-trien-2,3,11,12-tetrol 12-acetate-3-sulfate

Synonym

  • 4,4,24-Tcttas

Systematic Name

  • Ergosta-8,14,24(28)-triene-2,3,11,12-tetrol, 4,4-dimethyl-, 12-acetate 3-(hydrogen sulfate), (2alpha,3beta,5alpha,11alpha,12beta)-

Registry Numbers

CAS Registry Number

  • 131319-90-9

System Generated Number

  • 0131319909

Structure Descriptors

InChI

1S/C32H50O8S/c1-17(2)18(3)10-11-19(4)22-13-14-23-21-12-15-25-30(6,7)28(40-41(36,37)38)24(34)16-31(25,8)26(21)27(35)29(32(22,23)9)39-20(5)33/h14,17,19,22,24-25,27-29,34-35H,3,10-13,15-16H2,1-2,4-9H3,(H,36,37,38)/t19-,22-,24-,25+,27+,28+,29-,31+,32-/m1/s1

InChIKey

BGABDSBXSCYPTK-MUSHREFUSA-N

Smiles

C[C@H](CCC(=C)C(C)C)[C@H]1CC=C2[C@@]1([C@@H]([C@H](C3=C2CC[C@@H]4[C@@]3(C[C@H]([C@@H](C4(C)C)OS(=O)(=O)O)O)C)O)OC(=O)C)C