(1β,11β,12α,15β)-1,11,12,15,21-pentahydroxypicras-3-ene-2,16-dione

CAS Registry Number®

1346764-96-2

CAS Name

(1β,11β,12α,15β)-1,11,12,15,21-pentahydroxypicras-3-ene-2,16-dione

Molecular Formula

C20H28O8

Molecular Mass

396.43

Cite this Page

(1β,11β,12α,15β)-1,11,12,15,21-pentahydroxypicras-3-ene-2,16-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1346764-96-2 (retrieved 2025-03-13) (CAS RN: 1346764-96-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H28O8/c1-7-4-10(22)17(26)19(2)9(7)5-11-20(3)12(14(24)18(27)28-11)8(6-21)13(23)15(25)16(19)20/h4,8-9,11-17,21,23-26H,5-6H2,1-3H3/t8-,9+,11-,12-,13-,14-,15+,16-,17-,19+,20+/m1/s1

InChIKey

InChIKey=AFJYIZMCHVBLPP-YREBFMARSA-N

SMILES

C[C@]12[C@]3([C@]4(C)[C@@](C[C@]1(OC(=O)[C@H](O)[C@]2([C@@H](CO)[C@@H](O)[C@@H]3O)[H])[H])(C(C)=CC(=O)[C@H]4O)[H])[H]

Canonical SMILES

O=C1OC2CC3C(=CC(=O)C(O)C3(C)C4C(O)C(O)C(CO)C(C1O)C24C)C

Other Names for this Substance

  • Picras-3-ene-2,16-dione, 1,11,12,15,21-pentahydroxy-, (1β,11β,12α,15β)-
  • (1β,11β,12α,15β)-1,11,12,15,21-pentahydroxypicras-3-ene-2,16-dione
  • Yadanziolide T