steviol

Chemical Formula:

C₂₀H₂₉O₃

Molecular Weight:

317.447 Daltons

Monoisotopic Mass:

318.2194948293 Daltons

SMILES:

C=C1(CC24(CC1(O)CC[CH](C3(C)(CCCC(C([O-])=O)(C)[CH](CC2)3))4))

InChI:

1S/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/p-1/t14-,15-,17+,18+,19+,20-/m0/s1

InChIKey:

QFVOYBUQQBFCRH-VQSWZGCSSA-M

Synonyms

hydroxydehydrostevic acid
kaur-16-en-18-oic acid
(14α)-13-hydroxykaur-16-en-18-oic-acid

Databases

MetaCyc: CPD-14501

PubChem (CID): 90657298 40619124

KEGG: C20212

CAS: 471-80-7

Seed: cpd21445

HMDB: HMDB36706

MetaNetX: MNXM82766

ChEBI: 145011