4α-Carboxy-7β,13α-dihydroxy-13,16-seco-ent-19-norbeyeran-16-oic acid 13,16-lactone

4α-Carboxy-7β,13α-dihydroxy-13,16-seco-ent-19-norbeyeran-16-oic acid 13,16-lactone

Common Name: 4α-Carboxy-7β,13α-dihydroxy-13,16-seco-ent-19-norbeyeran-16-oic acid 13,16-lactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O5/c1-17-8-5-12-18(2)6-4-7-19(3,16(23)24)13(18)9-14(21)20(12,11-17)10-15(22)25-17/h12-14,21H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,17-,18-,19+,20+/m0/s1

InChIKey: InChIKey=WVQIYYTZAKEAOU-SWTLLTDLSA-N

Formula: C20H30O5

Molecular Weight: 350.449965

Exact Mass: 350.209324

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 (CH2) 40
2 (CH2) 19.5
3 (CH2) 38.5
4 (C) 43.4
5 (CH) 47.3
6 (CH2) 28.4
7 (CH) 74.4
8 (C) 39.7
9 (CH) 49.2
10 (C) 38
11 (CH2) 18.6
12 (CH2) 38.4
13 (C) 80.7
14 (CH2) 42.5
15 (CH2) 38.2
16 (C) 171.8
17 (CH3) 28.5
18 (CH3) 29
19 (C) 180.1
20 (CH3) 13.6