(20S)-ginsenoside Rg3

Chemical Formula:

C₄₂H₇₂O₁₃

Molecular Weight:

785.023 Daltons

Monoisotopic Mass:

784.4972923985 Daltons

SMILES:

CC(C)=CCCC(C)(O)[CH]1(CCC6(C)([CH]1C(O)C[CH]5(C(C)(CC[CH]2(C(C)(CCC(C(C)(C)2)OC4(OC(CO)C(C(O)C(OC3(OC(CO)C(C(O)C(O)3)O))4)O))5))6)))

InChI:

1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1

InChIKey:

RWXIFXNRCLMQCD-JBVRGBGGSA-N

Synonyms

20(S)-propanaxidiol

Databases

MetaCyc: CPD-12102

KEGG: C20778

PubChem (CID): 9918693

MetaboLights: MTBLC67991

HMDB: HMDB39546

ChEBI: 67991

Seed: cpd23239

MetaNetX: MNXM100970