(3β)-3-[(O-6-Deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]-13,28-epoxyoleanan-16-one

CAS Registry Number®

1335200-66-2

CAS Name

(3β)-3-[(O-6-Deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]-13,28-epoxyoleanan-16-one

Molecular Formula

C53H86O21

Molecular Mass

1059.24

Cite this Page

(3β)-3-[(O-6-Deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]-13,28-epoxyoleanan-16-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1335200-66-2 (retrieved 2024-11-26) (CAS RN: 1335200-66-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C53H86O21/c1-23-32(57)36(61)39(64)43(68-23)74-42-38(63)34(59)25(20-55)70-46(42)71-26-21-66-45(41(35(26)60)73-44-40(65)37(62)33(58)24(19-54)69-44)72-31-11-12-49(6)27(48(31,4)5)9-13-50(7)28(49)10-14-53-29-17-47(2,3)15-16-52(29,22-67-53)30(56)18-51(50,53)8/h23-29,31-46,54-55,57-65H,9-22H2,1-8H3/t23-,24+,25+,26-,27-,28+,29?,31-,32-,33+,34+,35-,36+,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,49-,50+,51-,52+,53-/m0/s1

InChIKey

InChIKey=SAYPHAZZCBWZNW-GXXZFMRCSA-N

SMILES

C[C@]12[C@@]3(C4([C@@](CO3)(C(=O)C1)CCC(C)(C)C4)[H])CC[C@]5([C@@]2(C)CC[C@@]6([C@]5(C)CC[C@H](O[C@H]7[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[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](O)[C@@H](CO)O9)CO7)C6(C)C)[H])[H]

Canonical SMILES

O=C1CC2(C)C3(OCC14CCC(C)(C)CC43)CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(O)C8OC9OC(C)C(O)C(O)C9O)C(O)C7OC%10OC(CO)C(O)C(O)C%10O)C(C)(C)C6CCC52C

Other Names for this Substance

  • Oleanan-16-one, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]-13,28-epoxy-, (3β)-
  • (3β)-3-[(O-6-Deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]-13,28-epoxyoleanan-16-one
  • Clethroidoside C

CAS INSIGHTSTM
Hourglass and a clock