Ergostane-2,3,6-triol, 25-methyl-, 2,3,6-tris(hydrogen sulfate)

CAS Registry Number®

103065-20-9

CAS Name

Ergostane-2,3,6-triol, 25-methyl-, 2,3,6-tris(hydrogen sulfate)

Molecular Formula

C29H52O12S3

Molecular Mass

688.91

Cite this Page

Ergostane-2,3,6-triol, 25-methyl-, 2,3,6-tris(hydrogen sulfate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=103065-20-9 (retrieved 2024-12-22) (CAS RN: 103065-20-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=UYXOPBYFUWYADH-APJFPIMXSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CC[C@@H](C(C)(C)C)C)C)(CC4)[H])[H])(C[C@H](OS(=O)(=O)O)[C@]1(C[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)C2)[H])[H])[H]

Canonical SMILES

O=S(=O)(O)OC1CC2C(OS(=O)(=O)O)CC3C4CCC(C(C)CCC(C)C(C)(C)C)C4(C)CCC3C2(C)CC1OS(=O)(=O)O

Other Names for this Substance

  • Ergostane-2,3,6-triol, 25-methyl-, 2,3,6-tris(hydrogen sulfate)
  • Ergostane-2,3,6-triol, 25-methyl-, tris(hydrogen sulfate), (2β,3α,5α,6α)-
  • Halistanol sulfate
  • Halistanol trisulfate

CAS INSIGHTSTM
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