kauralexin A3

Chemical Formula:

C₂₀H₂₉O₃

Molecular Weight:

317.447 Daltons

Monoisotopic Mass:

318.2194948293 Daltons

SMILES:

CC1(CCCC2(C3(CCC4(CC(CCC12)3CC4C([O-])=O)))C)C=O

InChI:

1S/C20H30O3/c1-18(12-21)7-3-8-19(2)15(18)6-9-20-10-13(4-5-16(19)20)14(11-20)17(22)23/h12-16H,3-11H2,1-2H3,(H,22,23)/p-1/t13-,14?,15?,16?,18+,19-,20+/m1/s1

InChIKey:

KVKFKHMIIMGSRS-OAATZGEPSA-M

Synonyms

ent-kaur-19-al-17-oic acid
ent-kaur-19-al-17-oate

Databases

MetaCyc: CPD-13541

PubChem (CID): 90657502

Seed: cpd23924

MetaNetX: MNXM11937