Ergosta-5,24-dien-26-oic acid, 1-(acetyloxy)-3-(β-D-glucopyranosyloxy)-14,20,22-trihydroxy-, δ-lactone, (1α,3β,22R)-

CAS Registry Number®

227179-07-9

CAS Name

Ergosta-5,24-dien-26-oic acid, 1-(acetyloxy)-3-(β-D-glucopyranosyloxy)-14,20,22-trihydroxy-, δ-lactone, (1α,3β,22R)-

Molecular Formula

C36H54O12

Molecular Mass

678.81

Cite this Page

Ergosta-5,24-dien-26-oic acid, 1-(acetyloxy)-3-(β-D-glucopyranosyloxy)-14,20,22-trihydroxy-, δ-lactone, (1α,3β,22R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=227179-07-9 (retrieved 2024-10-21) (CAS RN: 227179-07-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H54O12/c1-17-13-27(48-31(42)18(17)2)35(6,43)25-10-12-36(44)23-8-7-20-14-21(46-32-30(41)29(40)28(39)24(16-37)47-32)15-26(45-19(3)38)34(20,5)22(23)9-11-33(25,36)4/h7,21-30,32,37,39-41,43-44H,8-16H2,1-6H3/t21-,22+,23-,24-,25+,26+,27-,28-,29+,30-,32-,33-,34+,35-,36-/m1/s1

InChIKey

InChIKey=ACXRDVCAKSUCPM-SOTUBAIFSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@@]4(O)[C@](C)(CC3)[C@@]([C@@](C)(O)[C@]5(CC(C)=C(C)C(=O)O5)[H])(CC4)[H])(CC=C1C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C[C@@H]2OC(C)=O)[H])[H]

Canonical SMILES

O=C1OC(CC(=C1C)C)C(O)(C)C2CCC3(O)C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CC(OC(=O)C)C5(C)C4CCC23C

Other Names for this Substance

  • Ergosta-5,24-dien-26-oic acid, 1-(acetyloxy)-3-(β-D-glucopyranosyloxy)-14,20,22-trihydroxy-, δ-lactone, (1α,3β,22R)-

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