β-D-Glucopyranosiduronic acid, (3β,4β,22β)-22-[(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-O-β-D-galactopyranosyl-(1→2)-

CAS Registry Number®

234761-05-8

CAS Name

β-D-Glucopyranosiduronic acid, (3β,4β,22β)-22-[(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-O-β-D-galactopyranosyl-(1→2)-

Molecular Formula

C65H106O32

Molecular Mass

1399.52

Cite this Page

β-D-Glucopyranosiduronic acid, (3β,4β,22β)-22-[(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-O-β-D-galactopyranosyl-(1→2)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=234761-05-8 (retrieved 2024-11-24) (CAS RN: 234761-05-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C65H106O32/c1-24-35(71)40(76)45(81)54(87-24)97-52-48(93-55-46(82)41(77)37(73)28(19-66)88-55)39(75)30(21-68)90-59(52)96-51-44(80)43(79)49(53(84)85)94-58(51)91-33-12-13-62(5)31(63(33,6)23-69)11-14-65(8)32(62)10-9-25-26-17-60(2,3)18-34(61(26,4)15-16-64(25,65)7)92-57-50(36(72)27(70)22-86-57)95-56-47(83)42(78)38(74)29(20-67)89-56/h9,24,26-52,54-59,66-83H,10-23H2,1-8H3,(H,84,85)/t24-,26-,27-,28+,29+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39-,40+,41-,42-,43-,44-,45+,46+,47+,48-,49-,50+,51+,52+,54-,55-,56-,57-,58+,59-,61+,62-,63+,64+,65+/m0/s1

InChIKey

InChIKey=CVBNNQMCORDBAG-LNYRHDMUSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C)(CC3)[C@H](O[C@H]5[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@@H](O)CO5)CC(C)(C)C4)[H])=CC[C@@]1([C@]7(C)[C@@](CC2)([C@](CO)(C)[C@@H](O[C@H]8[C@H](O[C@H]9[C@H](O[C@H]%10[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O%10)[C@@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@@H](O)[C@@H](CO)O9)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O8)CC7)[H])[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CC(OC7OCC(O)C(O)C7OC8OC(CO)C(O)C(O)C8O)C6(C)CCC54C)C2(C)CO)C(OC9OC(CO)C(O)C(OC%10OC(CO)C(O)C(O)C%10O)C9OC%11OC(C)C(O)C(O)C%11O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4β,22β)-22-[(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-O-β-D-galactopyranosyl-(1→2)-

CAS INSIGHTSTM
Hourglass and a clock