Lithospermoside

CAS Registry Number®

63492-69-3
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CAS Name

Lithospermoside

Molecular Formula

C14H19NO8

Molecular Mass

329.30

Cite this Page

Lithospermoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=63492-69-3 (retrieved 2024-05-18) (CAS RN: 63492-69-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    271 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1

InChIKey

InChIKey=WIIDBJNWXCWLKF-VVAXPEBGSA-N

SMILES

O([C@H]1/C(=C\C#N)/C=C[C@@H](O)[C@@H]1O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O

Canonical SMILES

N#CC=C1C=CC(O)C(O)C1OC2OC(CO)C(O)C(O)C2O

Other Names for this Substance

  • Acetonitrile, 2-[(4R,5S,6S)-6-(β-D-glucopyranosyloxy)-4,5-dihydroxy-2-cyclohexen-1-ylidene]-, (2Z)-
  • Acetonitrile, [6-(β-D-glucopyranosyloxy)-4,5-dihydroxy-2-cyclohexen-1-ylidene]-, [4R-(1Z,4α,5β,6α)]-
  • Acetonitrile, [(4R,5S,6S)-6-(β-D-glucopyranosyloxy)-4,5-dihydroxy-2-cyclohexen-1-ylidene]-, (2Z)-
  • (2Z)-2-[(4R,5S,6S)-6-(β-D-Glucopyranosyloxy)-4,5-dihydroxy-2-cyclohexen-1-ylidene]acetonitrile
  • Lithospermoside

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Deleted or Replaced CAS Registry Numbers

62896-23-5

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