(3β,4α)-28-[(O-6-Deoxy-α-L-mannopyranosyl-(1→3)-O-[O-β-D-xylopyranosyl-(1→3)-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®

333333-23-6

CAS Name

(3β,4α)-28-[(O-6-Deoxy-α-L-mannopyranosyl-(1→3)-O-[O-β-D-xylopyranosyl-(1→3)-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

C70H110O35

Molecular Mass

1511.60

Cite this Page

(3β,4α)-28-[(O-6-Deoxy-α-L-mannopyranosyl-(1→3)-O-[O-β-D-xylopyranosyl-(1→3)-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=333333-23-6 (retrieved 2024-11-24) (CAS RN: 333333-23-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C70H110O35/c1-25-36(75)40(79)46(85)59(94-25)101-52-37(76)26(2)95-63(55(52)104-60-48(87)44(83)50(27(3)96-60)99-58-49(88)51(31(74)23-93-58)100-57-45(84)38(77)30(73)22-92-57)105-64(91)70-18-16-65(4,5)20-29(70)28-10-11-34-66(6)14-13-35(67(7,24-72)33(66)12-15-69(34,9)68(28,8)17-19-70)98-62-54(43(82)42(81)53(102-62)56(89)90)103-61-47(86)41(80)39(78)32(21-71)97-61/h10,24-27,29-55,57-63,71,73-88H,11-23H2,1-9H3,(H,89,90)/t25-,26+,27-,29-,30+,31+,32+,33+,34+,35-,36-,37-,38-,39-,40+,41-,42-,43-,44-,45+,46+,47+,48+,49+,50-,51-,52-,53-,54+,55+,57-,58-,59-,60-,61-,62+,63-,66-,67-,68+,69+,70-/m0/s1

InChIKey

InChIKey=IVYQSEVUVAENJB-GTOJXEJNSA-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]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@H](O)CO3)[C@H](C)O2)[C@@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@@H](C)O1)(=O)[C@]67[C@](C=8[C@@](C)(CC6)[C@@]9(C)[C@](CC8)([C@]%10(C)[C@@](CC9)([C@@](C=O)(C)[C@@H](O[C@H]%11[C@H](O[C@@H]%12O[C@H](CO)[C@H](O)[C@H](O)[C@H]%12O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O%11)CC%10)[H])[H])(CC(C)(C)CC7)[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(OC%12OCC(O)C(O)C%12O)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→3)-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→3)-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 II

CAS INSIGHTSTM
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