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Substance Name: Halistanol trisulfate
RN: 103065-20-9
InChIKey: UYXOPBYFUWYADH-APJFPIMXSA-N

Note

  • Isolated from marine sponges.

Molecular Formula

  • C29-H52-O12-S3

Molecular Weight

  • 688.916
 
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Names and Synonyms

Name of Substance

  • Halistanol trisulfate

Synonym

  • Halistanol sulfate

Systematic Name

  • Ergostane-2,3,6-triol, 25-methyl-, tris(hydrogen sulfate), (2beta,3alpha,5alpha,6alpha,24zeta)-

Registry Numbers

CAS Registry Number

  • 103065-20-9

System Generated Number

  • 0103065209

Structure Descriptors

InChI

1S/C29H52O12S3/c1-17(8-9-18(2)27(3,4)5)20-10-11-21-19-14-24(39-42(30,31)32)23-15-25(40-43(33,34)35)26(41-44(36,37)38)16-29(23,7)22(19)12-13-28(20,21)6/h17-26H,8-16H2,1-7H3,(H,30,31,32)(H,33,34,35)(H,36,37,38)/t17-,18+,19+,20-,21+,22+,23-,24+,25+,26+,28-,29-/m1/s1

InChIKey

UYXOPBYFUWYADH-APJFPIMXSA-N

Smiles

C1[C@@]2([C@@H]3[C@H]([C@H]4[C@]([C@@H]([C@@H](CC[C@@H](C(C)(C)C)C)C)CC4)(C)CC3)C[C@@H]([C@H]2C[C@@H](OS(O)(=O)=O)[C@H]1OS(O)(=O)=O)OS(O)(=O)=O)C