(3β)-16-Oxo-28-noroleana-12,17-dien-3-yl O-β-D-glucopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→3)-O-[β-D-galactopyranosyl-(1→2)]-β-D-glucopyranosiduronic acid

CAS Registry Number®

380303-68-4
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CAS Name

(3β)-16-Oxo-28-noroleana-12,17-dien-3-yl O-β-D-glucopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→3)-O-[β-D-galactopyranosyl-(1→2)]-β-D-glucopyranosiduronic acid

Molecular Formula

C53H82O23

Molecular Mass

1087.20

Cite this Page

(3β)-16-Oxo-28-noroleana-12,17-dien-3-yl O-β-D-glucopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→3)-O-[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=380303-68-4 (retrieved 2024-09-19) (CAS RN: 380303-68-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C53H82O23/c1-49(2)13-10-21-22(16-49)23-8-9-29-51(5)14-12-30(50(3,4)28(51)11-15-52(29,6)53(23,7)17-24(21)57)72-48-43(76-46-38(65)35(62)32(59)26(19-55)70-46)40(39(66)41(74-48)44(67)68)73-47-42(36(63)33(60)27(20-56)71-47)75-45-37(64)34(61)31(58)25(18-54)69-45/h8,25-43,45-48,54-56,58-66H,9-20H2,1-7H3,(H,67,68)/t25-,26-,27-,28+,29-,30+,31-,32+,33+,34+,35+,36+,37-,38-,39+,40+,41+,42-,43-,45+,46+,47+,48-,51+,52-,53-/m1/s1

InChIKey

InChIKey=SKIHUNYUOHGHDD-NGRJGIDOSA-N

SMILES

C[C@]12[C@@]3(C)C(C4=C(C(=O)C3)CCC(C)(C)C4)=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](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)C4CC=C5C6=C(C(=O)CC5(C)C4(C)CCC3C2(C)C)CCC(C)(C)C6)C(OC7OC(CO)C(O)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)-16-oxo-28-noroleana-12,17-dien-3-yl O-β-D-glucopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→3)-O-[β-D-galactopyranosyl-(1→2)]-
  • (3β)-16-Oxo-28-noroleana-12,17-dien-3-yl O-β-D-glucopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→3)-O-[β-D-galactopyranosyl-(1→2)]-β-D-glucopyranosiduronic acid
  • Camellioside C