Calendoside I

CAS Registry Number®

123160-33-8
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CAS Name

Calendoside I

Molecular Formula

C27H30O16

Molecular Mass

610.52

Cite this Page

Calendoside I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=123160-33-8 (retrieved 2024-09-19) (CAS RN: 123160-33-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H30O16/c1-8-17(33)19(35)21(37)26(39-8)42-24-15(7-28)41-27(22(38)20(24)36)43-25-18(34)16-13(32)5-10(29)6-14(16)40-23(25)9-2-3-11(30)12(31)4-9/h2-6,8,15,17,19-22,24,26-33,35-38H,7H2,1H3/t8-,15+,17-,19+,20+,21+,22+,24+,26-,27-/m0/s1

InChIKey

InChIKey=SKOCCRDVSSOREC-LSSIHSGASA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC(O)=C(O)C=C3)[C@@H]4O[C@H](CO)[C@@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@H](O)[C@H]4O

Canonical SMILES

O=C1C(OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)=C(OC=4C=C(O)C=C(O)C14)C=5C=CC(O)=C(O)C5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[[4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
  • 3-[[4-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
  • Quercetin-3-rhamnosyl(1-4)glucoside
  • Calendoside I