(3β,4α)-28-[(O-6-Deoxy-α-L-mannopyranosyl-(1→3)-O-[O-β-D-xylopyranosyl-(1→4)-6-deoxy-α-L-mannopyranosyl-(1→2)]-6-deoxy-β-D-galactopyranosyl)oxy]-23,28-dioxoolean-12-en-3-yl 2-O-β-D-galactopyranosyl-β-D-glucopyranosiduronic acid

CAS Registry Number®

333333-20-3

CAS Name

(3β,4α)-28-[(O-6-Deoxy-α-L-mannopyranosyl-(1→3)-O-[O-β-D-xylopyranosyl-(1→4)-6-deoxy-α-L-mannopyranosyl-(1→2)]-6-deoxy-β-D-galactopyranosyl)oxy]-23,28-dioxoolean-12-en-3-yl 2-O-β-D-galactopyranosyl-β-D-glucopyranosiduronic acid

Molecular Formula

C65H102O31

Molecular Mass

1379.49

Cite this Page

(3β,4α)-28-[(O-6-Deoxy-α-L-mannopyranosyl-(1→3)-O-[O-β-D-xylopyranosyl-(1→4)-6-deoxy-α-L-mannopyranosyl-(1→2)]-6-deoxy-β-D-galactopyranosyl)oxy]-23,28-dioxoolean-12-en-3-yl 2-O-β-D-galactopyranosyl-β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=333333-20-3 (retrieved 2024-11-24) (CAS RN: 333333-20-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C65H102O31/c1-24-34(69)38(73)44(79)54(86-24)92-48-35(70)25(2)87-58(51(48)95-55-46(81)42(77)47(26(3)88-55)91-53-43(78)36(71)29(68)22-85-53)96-59(84)65-18-16-60(4,5)20-28(65)27-10-11-32-61(6)14-13-33(62(7,23-67)31(61)12-15-64(32,9)63(27,8)17-19-65)90-57-50(41(76)40(75)49(93-57)52(82)83)94-56-45(80)39(74)37(72)30(21-66)89-56/h10,23-26,28-51,53-58,66,68-81H,11-22H2,1-9H3,(H,82,83)/t24-,25+,26-,28-,29+,30+,31+,32+,33-,34-,35-,36-,37-,38+,39-,40-,41-,42-,43+,44+,45+,46+,47-,48-,49-,50+,51+,53-,54-,55-,56-,57+,58-,61-,62-,63+,64+,65-/m0/s1

InChIKey

InChIKey=ULHRDLGYAHWAGO-NDAKJGMLSA-N

SMILES

C(O[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)CO3)[C@H](C)O2)[C@@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@@H](C)O1)(=O)[C@]56[C@](C=7[C@@](C)(CC5)[C@@]8(C)[C@](CC7)([C@]9(C)[C@@](CC8)([C@@](C=O)(C)[C@@H](O[C@H]%10[C@H](O[C@@H]%11O[C@H](CO)[C@H](O)[C@H](O)[C@H]%11O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O%10)CC9)[H])[H])(CC(C)(C)CC6)[H]

Canonical SMILES

O=CC1(C)C(OC2OC(C(=O)O)C(O)C(O)C2OC3OC(CO)C(O)C(O)C3O)CCC4(C)C1CCC5(C)C4CC=C6C7CC(C)(C)CCC7(C(=O)OC8OC(C)C(O)C(OC9OC(C)C(O)C(O)C9O)C8OC%10OC(C)C(OC%11OCC(O)C(O)C%11O)C(O)C%10O)CCC65C

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4α)-28-[(O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[O-β-D-xylopyranosyl-(1→4)-6-deoxy-α-L-mannopyranosyl-(1→2)]-6-deoxy-β-D-galactopyranosyl)oxy]-23,28-dioxoolean-12-en-3-yl 2-O-β-D-galactopyranosyl-
  • (3β,4α)-28-[(O-6-Deoxy-α-L-mannopyranosyl-(1→3)-O-[O-β-D-xylopyranosyl-(1→4)-6-deoxy-α-L-mannopyranosyl-(1→2)]-6-deoxy-β-D-galactopyranosyl)oxy]-23,28-dioxoolean-12-en-3-yl 2-O-β-D-galactopyranosyl-β-D-glucopyranosiduronic acid
  • Goyasaponin I

CAS INSIGHTSTM
Hourglass and a clock