kauralexin B3

Chemical Formula:

C₂₀H₂₇O₃

Molecular Weight:

315.431 Daltons

Monoisotopic Mass:

316.2038447651 Daltons

SMILES:

CC1(CCCC2(C)(C3(CCC4(CC(CCC12)3C=C4C([O-])=O))))C=O

InChI:

1S/C20H28O3/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/h11-13,15-16H,3-10H2,1-2H3,(H,22,23)/p-1/t13-,15?,16?,18+,19-,20+/m1/s1

InChIKey:

MNWRXDQYFZSZMN-XDWXLIMRSA-M

Synonyms

ent-kaur-15-en-19-al-17-oic acid
ent-kaur-15-en-19-al-17-oate

Databases

MetaCyc: CPD-13544

PubChem (CID): 90658844

Seed: cpd23927

MetaNetX: MNXM11939