4α-carboxy-1α,7α,13α-trihydroxy-13,16-seco-ent-19-norbeyeran-16-oic acid 13,16-lactone

4α-carboxy-1α,7α,13α-trihydroxy-13,16-seco-ent-19-norbeyeran-16-oic acid 13,16-lactone

Common Name: 4α-carboxy-1α,7α,13α-trihydroxy-13,16-seco-ent-19-norbeyeran-16-oic acid 13,16-lactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O6/c1-17-6-4-11-19(3)12(18(2,16(24)25)7-5-13(19)21)8-14(22)20(11,10-17)9-15(23)26-17/h11-14,21-22H,4-10H2,1-3H3,(H,24,25)/t11-,12+,13-,14-,17-,18+,19-,20+/m0/s1

InChIKey: InChIKey=VASJJOZORMHXKA-PZEXLGDASA-N

Formula: C20H30O6

Molecular Weight: 366.44937

Exact Mass: 366.204239

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Chou, B.H., Yang, L.M., Chang, S.F., Hsu, F.L., Lo, C.H., Liaw, J.H., Liu, P.C., Lin, S.J. J Nat Prod (2008) 71, 602-7

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Beyeranes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)

Carbon NMR Peaks

Position PPM
1 (CH) 81.4
2 (CH2) 30.8
3 (CH2) 36.9
4 (C) 43.2
5 (CH) 45.9
6 (CH2) 28.4
7 (CH) 74.7
8 (C) 40.5
9 (CH) 50.5
10 (C) 44.3
11 (CH2) 21.9
12 (CH2) 39.1
13 (C) 80.7
14 (CH2) 43.1
15 (CH2) 38.8
16 (C) 172.1
17 (CH3) 28.7
18 (CH3) 29
19 (C) 180.1
20 (CH3) 10.3