(3β)-17-Hydroxy-16-oxo-28-norolean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→3)-O-[4-O-acetyl-β-D-galactopyranosyl-(1→2)]-β-D-glucopyranosiduronic acid

CAS Registry Number®

378244-83-8

CAS Name

(3β)-17-Hydroxy-16-oxo-28-norolean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→3)-O-[4-O-acetyl-β-D-galactopyranosyl-(1→2)]-β-D-glucopyranosiduronic acid

Molecular Formula

C55H86O25

Molecular Mass

1147.26

Cite this Page

(3β)-17-Hydroxy-16-oxo-28-norolean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→3)-O-[4-O-acetyl-β-D-galactopyranosyl-(1→2)]-β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=378244-83-8 (retrieved 2024-11-08) (CAS RN: 378244-83-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C55H86O25/c1-22(59)72-40-27(21-58)75-47(38(67)36(40)65)80-44-41(77-48-43(35(64)33(62)26(20-57)74-48)79-46-37(66)34(63)32(61)25(19-56)73-46)39(68)42(45(69)70)78-49(44)76-31-12-13-52(6)28(51(31,4)5)11-14-53(7)29(52)10-9-23-24-17-50(2,3)15-16-55(24,71)30(60)18-54(23,53)8/h9,24-29,31-44,46-49,56-58,61-68,71H,10-21H2,1-8H3,(H,69,70)/t24-,25+,26+,27+,28-,29+,31-,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,42-,43+,44+,46-,47-,48-,49+,52-,53+,54+,55+/m0/s1

InChIKey

InChIKey=LMZLCIKMDCPHLL-QWSKOPIRSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](O)(C(=O)C3)CCC(C)(C)C4)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](O[C@H]6[C@H](O[C@@H]7O[C@H](CO)[C@H](OC(C)=O)[C@H](O)[C@H]7O)[C@@H](O[C@H]8[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@@H](O)[C@@H](CO)O8)[C@H](O)[C@@H](C(O)=O)O6)CC5)[H])[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(O)C(=O)CC54C)C2(C)C)C(OC7OC(CO)C(OC(=O)C)C(O)C7O)C(OC8OC(CO)C(O)C(O)C8OC9OC(CO)C(O)C(O)C9O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β)-17-hydroxy-16-oxo-28-norolean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→3)-O-[4-O-acetyl-β-D-galactopyranosyl-(1→2)]-
  • (3β)-17-Hydroxy-16-oxo-28-norolean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→3)-O-[4-O-acetyl-β-D-galactopyranosyl-(1→2)]-β-D-glucopyranosiduronic acid
  • Camellioside B

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles