kauralexin B2

Chemical Formula:

C₂₀H₂₆O₄

Molecular Weight:

330.423 Daltons

Monoisotopic Mass:

332.19875938719997 Daltons

SMILES:

CC12(CCCC(C1CCC34(C2CCC(C3)C(=C4)C([O-])=O))(C)C([O-])=O)

InChI:

1S/C20H28O4/c1-18-7-3-8-19(2,17(23)24)14(18)6-9-20-10-12(4-5-15(18)20)13(11-20)16(21)22/h11-12,14-15H,3-10H2,1-2H3,(H,21,22)(H,23,24)/p-2/t12-,14?,15?,18-,19-,20+/m1/s1

InChIKey:

YQNLDLVKFNZFTI-FMSVMPKNSA-L

Synonyms

ent-kauran-17,19-dioic acid
ent-kaur-15-en-17,19-dioate

Databases

MetaCyc: CPD-13543

PubChem (CID): 90657689

Seed: cpd23926

MetaNetX: MNXM18813