Lupan-28-oic acid, 3,16,20,21-tetrahydroxy-, γ-lactone, (3β,16β,21β)-

CAS Registry Number®

152218-60-5

CAS Name

Lupan-28-oic acid, 3,16,20,21-tetrahydroxy-, γ-lactone, (3β,16β,21β)-

Molecular Formula

C30H48O5

Molecular Mass

488.70

Cite this Page

Lupan-28-oic acid, 3,16,20,21-tetrahydroxy-, γ-lactone, (3β,16β,21β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=152218-60-5 (retrieved 2024-11-22) (CAS RN: 152218-60-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H48O5/c1-25(2)18-10-13-28(6)19(27(18,5)12-11-20(25)31)9-8-16-22-23(26(3,4)34)17-14-30(22,24(33)35-17)21(32)15-29(16,28)7/h16-23,31-32,34H,8-15H2,1-7H3/t16-,17+,18+,19-,20+,21+,22+,23-,27+,28-,29-,30+/m1/s1

InChIKey

InChIKey=TUGGKIJIUJBTCO-BNHOAFEASA-N

SMILES

O[C@@H]1[C@]23[C@@]([C@@]4([C@@](C)(C1)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)(C(C)(C)[C@@H](O)CC6)[H])[H])[H])([C@H]([C@@](C)(C)O)[C@](C2)(OC3=O)[H])[H]

Canonical SMILES

O=C1OC2CC13C(O)CC4(C)C(CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C3C2C(O)(C)C

Other Names for this Substance

  • Lupan-28-oic acid, 3,16,20,21-tetrahydroxy-, γ-lactone, (3β,16β,21β)-
  • 4H-2,4a-Methano-2H-chryseno[2,1-c]pyran, lupan-28-oic acid deriv.
  • 16β-Hydroxystellatogenin

CAS INSIGHTSTM
Targeted protein degrader structure, illustration