Dammar-23-en-16-one, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-30-(β-D-glucopyranosyloxy)-20,25-dihydroxy-, (3β,23E)-

CAS Registry Number®

154971-11-6
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CAS Name

Dammar-23-en-16-one, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-30-(β-D-glucopyranosyloxy)-20,25-dihydroxy-, (3β,23E)-

Molecular Formula

C47H78O18

Molecular Mass

931.11

Cite this Page

Dammar-23-en-16-one, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-30-(β-D-glucopyranosyloxy)-20,25-dihydroxy-, (3β,23E)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=154971-11-6 (retrieved 2024-09-19) (CAS RN: 154971-11-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H78O18/c1-22-31(51)34(54)37(57)40(62-22)65-38-32(52)25(50)20-60-41(38)64-29-13-16-44(6)27(43(29,4)5)12-17-45(7)28(44)11-10-23-30(46(8,59)15-9-14-42(2,3)58)24(49)18-47(23,45)21-61-39-36(56)35(55)33(53)26(19-48)63-39/h9,14,22-23,25-41,48,50-59H,10-13,15-21H2,1-8H3/b14-9+/t22-,23+,25-,26+,27-,28+,29-,30+,31-,32-,33+,34+,35-,36+,37+,38+,39+,40-,41-,44-,45+,46-,47-/m0/s1

InChIKey

InChIKey=YAFOSOWHFJFSLN-FLTWFZHVSA-N

SMILES

C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]23[C@@]4(C)[C@@]([C@]5(C)[C@@](CC4)(C(C)(C)[C@@H](O[C@H]6[C@H](O[C@H]7[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O7)[C@@H](O)[C@@H](O)CO6)CC5)[H])(CC[C@@]2([C@@]([C@@](C/C=C/C(C)(C)O)(C)O)(C(=O)C3)[H])[H])[H]

Canonical SMILES

O=C1CC2(COC3OC(CO)C(O)C(O)C3O)C(CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC7OC(C)C(O)C(O)C7O)C(C)(C)C5CCC42C)C1C(O)(C)CC=CC(O)(C)C

Other Names for this Substance

  • Dammar-23-en-16-one, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]-30-(β-D-glucopyranosyloxy)-20,25-dihydroxy-, (3β,23E)-
  • Hoduloside VII