Odoroside A

CAS Registry Number®

12738-19-1

CAS Name

Odoroside A

Molecular Formula

C30H46O7

Molecular Mass

518.68

Cite this Page

Odoroside A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=12738-19-1 (retrieved 2024-11-25) (CAS RN: 12738-19-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    180-185 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H46O7/c1-17-27(32)24(34-4)15-26(36-17)37-20-7-10-28(2)19(14-20)5-6-23-22(28)8-11-29(3)21(9-12-30(23,29)33)18-13-25(31)35-16-18/h13,17,19-24,26-27,32-33H,5-12,14-16H2,1-4H3/t17-,19-,20+,21-,22+,23-,24-,26+,27+,28+,29-,30+/m1/s1

InChIKey

InChIKey=YBZZSZQZDODUAA-FNFYTULRSA-N

SMILES

O[C@@]12[C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@@H](O[C@H]5C[C@@H](OC)[C@@H](O)[C@@H](C)O5)CC4)[H])(CC[C@]1(C)[C@H](CC2)C6=CC(=O)OC6)[H])[H]

Canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(O)C(OC)C6)CCC5(C)C4CCC23C

Other Names for this Substance

  • Card-20(22)-enolide, 3-[(2,6-dideoxy-3-O-methyl-β-D-lyxo-hexopyranosyl)oxy]-14-hydroxy-, (3β,5β)-
  • Odoroside A
  • (3β,5β)-3-[(2,6-Dideoxy-3-O-methyl-β-D-lyxo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
  • Odorosid A
  • Digitoxigenin 3-O-β-D-diginoside

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