Neritaloside

CAS Registry Number®

465-13-4
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CAS Name

Neritaloside

Molecular Formula

C32H48O10

Molecular Mass

592.72

Cite this Page

Neritaloside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=465-13-4 (retrieved 2024-04-28) (CAS RN: 465-13-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    135-140 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C32H48O10/c1-16-26(35)28(38-5)27(36)29(40-16)42-20-8-10-30(3)19(13-20)6-7-22-21(30)9-11-31(4)25(18-12-24(34)39-15-18)23(41-17(2)33)14-32(22,31)37/h12,16,19-23,25-29,35-37H,6-11,13-15H2,1-5H3/t16-,19-,20+,21+,22-,23+,25+,26+,27-,28+,29+,30+,31-,32+/m1/s1

InChIKey

InChIKey=UZQOZJNEDXAJEZ-VZJXLKLWSA-N

SMILES

C[C@@]12[C@@](O)([C@]3([C@](CC1)([C@]4(C)[C@](CC3)(C[C@@H](O[C@H]5[C@H](O)[C@@H](OC)[C@@H](O)[C@@H](C)O5)CC4)[H])[H])[H])C[C@H](OC(C)=O)[C@@H]2C=6COC(=O)C6

Canonical SMILES

O=C1OCC(=C1)C2C(OC(=O)C)CC3(O)C4CCC5CC(OC6OC(C)C(O)C(OC)C6O)CCC5(C)C4CCC23C

Other Names for this Substance

  • Card-20(22)-enolide, 16-(acetyloxy)-3-[(6-deoxy-3-O-methyl-β-D-galactopyranosyl)oxy]-14-hydroxy-, (3β,5β,16β)-
  • Strospeside, 16-acetate
  • (3β,5β,16β)-16-(Acetyloxy)-3-[(6-deoxy-3-O-methyl-β-D-galactopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
  • Neritaloside

Deleted or Replaced CAS Registry Numbers

64811-84-3

CAS INSIGHTSTM
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