β-D-Glucopyranosiduronic acid, (3β)-17-carboxy-28-norolean-12-en-3-yl O-α-L-arabinopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-

CAS Registry Number®

121521-92-4

CAS Name

β-D-Glucopyranosiduronic acid, (3β)-17-carboxy-28-norolean-12-en-3-yl O-α-L-arabinopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-

Molecular Formula

C47H74O18

Molecular Mass

927.08

Cite this Page

β-D-Glucopyranosiduronic acid, (3β)-17-carboxy-28-norolean-12-en-3-yl O-α-L-arabinopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=121521-92-4 (retrieved 2024-11-25) (CAS RN: 121521-92-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-36(65-38-31(53)28(50)23(49)20-60-38)34(33(55)35(64-40)37(56)57)63-39-32(54)30(52)29(51)24(19-48)61-39/h8,22-36,38-40,48-55H,9-20H2,1-7H3,(H,56,57)(H,58,59)/t22-,23-,24+,25-,26+,27-,28-,29+,30-,31+,32+,33-,34-,35-,36+,38-,39-,40+,44-,45+,46+,47-/m0/s1

InChIKey

InChIKey=DPXMETKXNWBGRI-AFPCQZQDSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)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]7[C@H](O)[C@@H](O)[C@@H](O)CO7)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[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(C(=O)O)CCC54C)C2(C)C)C(OC7OCC(O)C(O)C7O)C(OC8OC(CO)C(O)C(O)C8O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β)-17-carboxy-28-norolean-12-en-3-yl O-α-L-arabinopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-
  • 28-Noroleanane, β-D-glucopyranosiduronic acid deriv.
  • Durupcoside B

CAS INSIGHTSTM
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