| 2D Structure | |
| CID | 92023627 |
| IUPAC Name | [(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(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)77-44-37(67)38(29(59)22(15-54)72-44)74-41-34(64)31(61)26(56)19(12-51)69-41)25(49)6-10-50(18,17-49)78-45-40(76-43-36(66)33(63)28(58)21(14-53)71-43)39(30(60)23(16-55)73-45)75-42-35(65)32(62)27(57)20(13-52)70-42/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 | BSVKOVOOJNJHBR-PBQKZBBNSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C50H80O28 |
| Molecular Weight | 1129.2 |
| synonyms | ['REBAUDIOSIDE I', '1220616-34-1', 'Fema No. 4937', '1U83C5T5N8', 'UNII-1U83C5T5N8', 'KAUR-16-EN-18-oic acid, 13-((o-beta-D-glucopyranosyl-(1->2)-O-(beta-D-glucopyranosyl-(1->3))-beta-D-glucopyranosyl)oxy)-, 3-o-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (4alpha)-', 'RefChem:45986', 'orb1707848', 'SCHEMBL29363473', 'DTXSID901347268', 'HY-N6889', 'AKOS040740896', 'OR46451', 'DA-67135', 'MS-31993', 'CS-0100497', 'F93956', 'Q63392189', 'KAUR-16-EN-18-OIC ACID, 13-((O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->3))-.BETA.-D-GLUCOPYRANOSYL)OXY)-, 3-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL ESTER, (4.ALPHA.)-'] |
From Pubchem