β-D-Galactopyranoside, (1β,3β,16β,22S)-1-[(6-deoxy-4-O-β-D-galactopyranosyl-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholest-5-en-16-yl

CAS Registry Number®

289690-79-5

CAS Name

β-D-Galactopyranoside, (1β,3β,16β,22S)-1-[(6-deoxy-4-O-β-D-galactopyranosyl-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholest-5-en-16-yl

Molecular Formula

C45H76O18

Molecular Mass

905.08

Cite this Page

β-D-Galactopyranoside, (1β,3β,16β,22S)-1-[(6-deoxy-4-O-β-D-galactopyranosyl-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholest-5-en-16-yl.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=289690-79-5 (retrieved 2025-05-21) (CAS RN: 289690-79-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H76O18/c1-18(2)7-10-26(49)19(3)31-27(59-42-37(55)34(52)32(50)28(16-46)60-42)15-25-23-9-8-21-13-22(48)14-30(45(21,6)24(23)11-12-44(25,31)5)62-41-39(57)36(54)40(20(4)58-41)63-43-38(56)35(53)33(51)29(17-47)61-43/h8,18-20,22-43,46-57H,7,9-17H2,1-6H3/t19-,20+,22-,23-,24+,25+,26+,27+,28-,29-,30-,31+,32+,33+,34+,35+,36+,37-,38-,39-,40+,41+,42-,43+,44+,45+/m1/s1

InChIKey

InChIKey=RPMXUCNWRIVIFQ-DIEINHMPSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C)[C@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](C)O5)C[C@H](O)CC4=CC3)[H])[H])(C[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@@]2([C@@H]([C@H](CCC(C)C)O)C)[H])[H]

Canonical SMILES

OCC1OC(OC2CC3C4CC=C5CC(O)CC(OC6OC(C)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C5(C)C4CCC3(C)C2C(C)C(O)CCC(C)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Galactopyranoside, (1β,3β,16β,22S)-1-[(6-deoxy-4-O-β-D-galactopyranosyl-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholest-5-en-16-yl

CAS INSIGHTSTM
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