19-Norergosta-1,3,5(10),24-tetraen-26-oic acid, 28-(β-D-glucopyranosyloxy)-1,6,22-trihydroxy-, δ-lactone, (6α,22R)-

CAS Registry Number®

1350448-52-0
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CAS Name

19-Norergosta-1,3,5(10),24-tetraen-26-oic acid, 28-(β-D-glucopyranosyloxy)-1,6,22-trihydroxy-, δ-lactone, (6α,22R)-

Molecular Formula

C33H46O10

Molecular Mass

602.71

Cite this Page

19-Norergosta-1,3,5(10),24-tetraen-26-oic acid, 28-(β-D-glucopyranosyloxy)-1,6,22-trihydroxy-, δ-lactone, (6α,22R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1350448-52-0 (retrieved 2024-09-20) (CAS RN: 1350448-52-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H46O10/c1-15-17(14-41-32-30(39)29(38)28(37)26(13-34)43-32)11-25(42-31(15)40)16(2)21-7-8-22-20-12-24(36)19-5-4-6-23(35)27(19)18(20)9-10-33(21,22)3/h4-6,16,18,20-22,24-26,28-30,32,34-39H,7-14H2,1-3H3/t16-,18-,20+,21+,22-,24-,25+,26+,28+,29-,30+,32+,33+/m0/s1

InChIKey

InChIKey=QYYMGJGFQVRKJA-RMHZGSCISA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C([C@@H](O)C3)=CC=CC4O)(CC1)[H])[H])(CC[C@@]2([C@H](C)[C@]5(CC(CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)=C(C)C(=O)O5)[H])[H])[H]

Canonical SMILES

O=C1OC(CC(=C1C)COC2OC(CO)C(O)C(O)C2O)C(C)C3CCC4C5CC(O)C=6C=CC=C(O)C6C5CCC34C

Other Names for this Substance

  • 19-Norergosta-1,3,5(10),24-tetraen-26-oic acid, 28-(β-D-glucopyranosyloxy)-1,6,22-trihydroxy-, δ-lactone, (6α,22R)-
  • Withalongolide K