stevioside

Chemical Formula:

C₃₈H₆₀O₁₈

Molecular Weight:

804.881 Daltons

Monoisotopic Mass:

804.3779651238001 Daltons

SMILES:

C=C1(CC57(CC1(OC3(OC(C(O)C(O)C(OC2(C(O)C(C(O)C(CO)O2)O))3)CO))CC[CH](C6(C)(CCCC(C(OC4(C(O)C(C(O)C(CO)O4)O))=O)(C)[CH](CC5)6))7))

InChI:

1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1

InChIKey:

UEDUENGHJMELGK-HYDKPPNVSA-N

Synonyms

13-[(2-O-.β.-D-Glucopyranosyl-.α.-D-glucopyranosyl)oxy]kaur-16-en-18-oic acid .β.-D-glucopyranosyl ester

Databases

MetaCyc: CPD-14504

ChEBI: 9271

PubChem (CID): 90658293 442089

HMDB: HMDB34945

KEGG: C09189

CAS: 57817-89-7

Seed: cpd06085

MetaNetX: MNXM12958