Ergosta-5,24-dien-26-oic acid, 3-(β-D-glucopyranosyloxy)-1,22-dihydroxy-, O-β-D-glucopyranosyl-(1→4)-O-6-O-acetyl-β-D-glucopyranosyl-(1→2)-6-O-acetyl-β-D-glucopyranosyl ester, (1α,3β,22R,24E)-

CAS Registry Number®

155520-08-4
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CAS Name

Ergosta-5,24-dien-26-oic acid, 3-(β-D-glucopyranosyloxy)-1,22-dihydroxy-, O-β-D-glucopyranosyl-(1→4)-O-6-O-acetyl-β-D-glucopyranosyl-(1→2)-6-O-acetyl-β-D-glucopyranosyl ester, (1α,3β,22R,24E)-

Molecular Formula

C56H88O27

Molecular Mass

1193.28

Cite this Page

Ergosta-5,24-dien-26-oic acid, 3-(β-D-glucopyranosyloxy)-1,22-dihydroxy-, O-β-D-glucopyranosyl-(1→4)-O-6-O-acetyl-β-D-glucopyranosyl-(1→2)-6-O-acetyl-β-D-glucopyranosyl ester, (1α,3β,22R,24E)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=155520-08-4 (retrieved 2024-09-19) (CAS RN: 155520-08-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C56H88O27/c1-21(14-32(61)23(3)29-10-11-30-28-9-8-26-15-27(76-51-45(70)41(66)38(63)33(17-57)77-51)16-37(62)56(26,7)31(28)12-13-55(29,30)6)22(2)50(73)83-54-49(43(68)40(65)35(79-54)19-74-24(4)59)82-53-47(72)44(69)48(36(80-53)20-75-25(5)60)81-52-46(71)42(67)39(64)34(18-58)78-52/h8,23,27-49,51-54,57-58,61-72H,9-20H2,1-7H3/b22-21+/t23-,27+,28-,29+,30-,31-,32+,33+,34+,35+,36+,37-,38+,39+,40+,41-,42-,43-,44+,45+,46+,47+,48+,49+,51+,52-,53-,54-,55+,56-/m0/s1

InChIKey

InChIKey=HVFSJXUIRWUHRG-BMOCRWRXSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H]([C@@H](C/C(=C(/C(O[C@H]5[C@H](O[C@@H]6O[C@H](COC(C)=O)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O5)=O)\C)/C)O)C)(CC4)[H])[H])(CC=C1C[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C[C@@H]2O)[H])[H]

Canonical SMILES

O=C(OC1OC(COC(=O)C)C(O)C(O)C1OC2OC(COC(=O)C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(=C(C)CC(O)C(C)C4CCC5C6CC=C7CC(OC8OC(CO)C(O)C(O)C8O)CC(O)C7(C)C6CCC45C)C

Other Names for this Substance

  • Ergosta-5,24-dien-26-oic acid, 3-(β-D-glucopyranosyloxy)-1,22-dihydroxy-, O-β-D-glucopyranosyl-(1→4)-O-6-O-acetyl-β-D-glucopyranosyl-(1→2)-6-O-acetyl-β-D-glucopyranosyl ester, (1α,3β,22R,24E)-