Convallamarin

Convallamarin^[1] is a crystalline glycoside extracted from Convallaria majalis.^[2]

Convallamarin

Names
IUPAC name (22R)-27-(β-D-Galactopyranosyloxy)-3β-[β-D-glucopyranosyl-(1→4)-6-deoxy-β-D-gulopyranosyloxy]-22-hydroxy-5β-furost-25-en-1β-yl 6-deoxy-β-D-gulopyranosyl-(1→4)-6-deoxy-β-D-allopyranoside
Systematic IUPAC name (12S,13R,14S,15S,16R,32R,33R,34S,35R,36R,52R,54R,54aS,54bS,56aS,56bR,57S,58R,59aS,510aS,510bS,512aR,72R,73R,74S,75S,76R,92S,93R,94R,95R,96R)-16-(Hydroxymethyl)-36,54a,56a,57,76,96-hexamethyl-58-(3-methylidene-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)octadecahydro-51H-2,4,6,8-tetraoxa-5(2,4)-naphtho[2′,1′:4,5]indeno[2,1-b]furana-1,9(2),3(5,2),7(2,5)-tetrakis(oxana)nonaphane-13,14,15,33,34,58,73,74,93,94,95-undecol
Identifiers
CAS Number	1391-12-4
3D model (JSmol)	Interactive image
ChemSpider	4884540
ECHA InfoCard	100.014.298
EC Number	215-728-6
PubChem CID	23304308
InChI InChI=1S/C57H94O27/c1-20(19-74-50-43(68)39(64)36(61)31(17-58)79-50)10-13-57(73)21(2)34-30(84-57)16-29-27-9-8-25-14-26(78-51-46(71)41(66)49(23(4)76-51)83-54-45(70)40(65)37(62)32(18-59)80-54)15-33(56(25,7)28(27)11-12-55(29,34)6)81-52-47(72)42(67)48(24(5)77-52)82-53-44(69)38(63)35(60)22(3)75-53/h21-54,58-73H,1,8-19H2,2-7H3/t21-,22+,23+,24+,25+,26+,27+,28-,29-,30-,31+,32+,33+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43+,44+,45+,46+,47+,48+,49-,50+,51-,52-,53-,54-,55-,56-,57+/m0/s1 Key: PSJVJZYSECBFHJ-BANYBNOTSA-N
SMILES O[C@@H]%10[C@H](O)[C@@H](O)[C@H](O[C@H]%10O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O[C@@H]1C)O[C@@H]5C[C@H](O[C@@H]3O[C@H](C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]3O)C[C@H]6CC[C@H]4[C@H]9[C@](CC[C@@H]4[C@@]56C)([C@@H]7[C@@H](O[C@@](O)([C@H]7C)CCC(=C)\CO[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)C9)C)C
Properties
Chemical formula	C57H94O27
Molar mass	1211.352 g·mol−1
Appearance	Yellowish-white crystalline powder
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references