| CAS Number | 63279-13-0 |
| Catalog Number | AG00EDKP(AGN-PC-0WAJWP) |
| Chemical Name | (4R)-13-[[2-O-(β-D-Glucopyranosyl)-3-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy]kaur-16-en-18-oic acid 2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl ester |
| IUPAC Name | [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate |
| InChI | InChI=1S/C50H80O28/c1-18-11-49-9-5-24-47(2,7-4-8-48(24,3)46(68)77-44-39(34(64)29(59)22(15-54)72-44)75-42-36(66)32(62)27(57)20(13-52)70-42)25(49)6-10-50(18,17-49)78-45-40(76-43-37(67)33(63)28(58)21(14-53)71-43)38(30(60)23(16-55)73-45)74-41-35(65)31(61)26(56)19(12-51)69-41/h19-45,51-67H,1,4-17H2,2-3H3/t19-,20-,21-,22-,23-,24+,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40-,41+,42+,43+,44+,45+,47-,48-,49-,50+/m1/s1 |
| InChI Key | RPYRMTHVSUWHSV-CUZJHZIBSA-N |
| MDL Number | MFCD11113790 |
| Molecular Formula | C50H80O28 |
| Molecular Weight | 1129.1534 |
| SMILES | O=C(C1(C)C2CCC(CC([C@]3(O[C@H]4[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)[C@H](O)[C@@H](CO)O4)CC7)=C)(C3)[C@]7([H])[C@]2(C)CCC1)O[C@H]8[C@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O9)[C@@H](O)[C@H](O)[C@@H](CO)O8 |
| UNII | 1SU114WXBX |
| Synonyms | rebaudioside D,
Rebaudioside D,
UNII-1SU114WXBX,
63279-13-0,
1SU114WXBX,
(-)-Rebaudioside D,
Rebaudioside D, (-)-,
Rebaudioside-D,
C50H80O28,
CHEMBL3286747,
RPYRMTHVSUWHSV-CUZJHZIBSA-N,
8236AH,
KAUR-16-EN-18-oic acid, 13-((o-beta-D-glucopyranosyl-(1->2)-O-(beta-D-glucopyranosyl-(1->3))-beta-D-glucopyranosyl)oxy)-, 2-o-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (4alpha)-,
SC-22115,
N2773,
RebaudiosideD,
ACN-047363,
|