steviolbioside

Chemical Formula:

C₃₂H₄₉O₁₃

Molecular Weight:

641.731 Daltons

Monoisotopic Mass:

642.3251416923 Daltons

SMILES:

C=C1(CC46(CC1(OC3(OC(C(O)C(O)C(OC2(C(O)C(CO)OC(C(O)2)O))3)CO))CC[CH](C5(C)(CCCC(C([O-])=O)(C)[CH](CC4)5))6))

InChI:

1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(40)41)19(31)6-10-32(15,14-31)45-27-25(22(37)20(35)16(12-33)43-27)44-24-21(36)17(13-34)42-26(39)23(24)38/h16-27,33-39H,1,4-14H2,2-3H3,(H,40,41)/p-1/t16-,17-,18+,19+,20-,21-,22+,23-,24+,25-,26-,27+,29-,30-,31-,32+/m1/s1

InChIKey:

WSNIRBUJXCDODQ-PNYYNUSBSA-M

Synonyms

13-O-β-sophorosyl-steviol

Databases

MetaCyc: CPD-14503

PubChem (CID): 9809601 135397914

CAS: 41093-60-1

MetaNetX: MNXM97341