Isoacteoside

CAS Registry Number®

61303-13-7
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CAS Name

Isoacteoside

Molecular Formula

C29H36O15

Molecular Mass

624.59

Cite this Page

Isoacteoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=61303-13-7 (retrieved 2024-03-29) (CAS RN: 61303-13-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    134-135 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1

InChIKey

InChIKey=FNMHEHXNBNCPCI-QEOJJFGVSA-N

SMILES

O([C@H]1[C@H](O)[C@@H](COC(/C=C/C2=CC(O)=C(O)C=C2)=O)O[C@@H](OCCC3=CC(O)=C(O)C=C3)[C@@H]1O)[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4

Canonical SMILES

O=C(OCC1OC(OCCC2=CC=C(O)C(O)=C2)C(O)C(OC3OC(C)C(O)C(O)C3O)C1O)C=CC4=CC=C(O)C(O)=C4

Other Names for this Substance

  • β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-α-L-mannopyranosyl)-, 6-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
  • β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-α-L-mannopyranosyl)-, 6-[3-(3,4-dihydroxyphenyl)-2-propenoate], (E)-
  • Isoverbascoside
  • Isoacteoside
  • Isoacteoside A

Deleted or Replaced CAS Registry Numbers

83529-64-0, 1000375-21-2

CAS INSIGHTSTM
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