(3β,5α,6β,22E)-5,6-Dihydroxyergosta-7,22-dien-3-yl β-D-glucopyranoside

CAS Registry Number®

140447-21-8
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CAS Name

(3β,5α,6β,22E)-5,6-Dihydroxyergosta-7,22-dien-3-yl β-D-glucopyranoside

Molecular Formula

C34H56O8

Molecular Mass

592.80

Cite this Page

(3β,5α,6β,22E)-5,6-Dihydroxyergosta-7,22-dien-3-yl β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=140447-21-8 (retrieved 2024-09-19) (CAS RN: 140447-21-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H56O8/c1-18(2)19(3)7-8-20(4)23-9-10-24-22-15-27(36)34(40)16-21(11-14-33(34,6)25(22)12-13-32(23,24)5)41-31-30(39)29(38)28(37)26(17-35)42-31/h7-8,15,18-21,23-31,35-40H,9-14,16-17H2,1-6H3/b8-7+/t19-,20+,21-,23+,24-,25-,26+,27+,28+,29-,30+,31+,32+,33+,34-/m0/s1

InChIKey

InChIKey=OHZYISZWOVEBCJ-ATLCLBDSSA-N

SMILES

C[C@@]12[C@@]3(C([C@]4([C@](C)(CC3)[C@@]([C@@H](/C=C/[C@@H](C(C)C)C)C)(CC4)[H])[H])=C[C@@H](O)[C@@]1(O)C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC2)[H]

Canonical SMILES

OCC1OC(OC2CCC3(C)C4C(=CC(O)C3(O)C2)C5CCC(C(C=CC(C)C(C)C)C)C5(C)CC4)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,5α,6β,22E)-5,6-dihydroxyergosta-7,22-dien-3-yl
  • (3β,5α,6β,22E)-5,6-Dihydroxyergosta-7,22-dien-3-yl β-D-glucopyranoside
  • Tuberoside (Tuber indicum)
  • Tuberoside