6-Deoxocastasterone

CAS Registry Number®

87833-54-3

CAS Name

6-Deoxocastasterone

Molecular Formula

C28H50O4

Molecular Mass

450.69

Cite this Page

6-Deoxocastasterone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=87833-54-3 (retrieved 2024-10-05) (CAS RN: 87833-54-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H50O4/c1-15(2)16(3)25(31)26(32)17(4)20-9-10-21-19-8-7-18-13-23(29)24(30)14-28(18,6)22(19)11-12-27(20,21)5/h15-26,29-32H,7-14H2,1-6H3/t16-,17-,18-,19-,20+,21-,22-,23-,24+,25+,26+,27+,28-/m0/s1

InChIKey

InChIKey=VXBLCLVRWCLEOX-BFYSZXNBSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@H](O)[C@H](O)C4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H]([C@H]([C@@H]([C@H](C(C)C)C)O)O)C)[H])[H]

Canonical SMILES

OC1CC2CCC3C4CCC(C(C)C(O)C(O)C(C)C(C)C)C4(C)CCC3C2(C)CC1O

Other Names for this Substance

  • Ergostane-2,3,22,23-tetrol, (2α,3α,5α,22R,23R,24S)-
  • (2α,3α,5α,22R,23R,24S)-Ergostane-2,3,22,23-tetrol
  • 6-Deoxocastasterone

CAS INSIGHTSTM
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