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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O5/c1-17-7-4-13-19(3)12(18(2,16(23)24)8-6-14(19)21)5-9-20(13,11-17)10-15(22)25-17/h12-14,21H,4-11H2,1-3H3,(H,23,24)/t12-,13+,14+,17+,18-,19-,20+/m1/s1

InChIKey: InChIKey=BCMCFHYNFWJXAW-ZXHHNCQOSA-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 (CH) 81.1
2 (CH2) 30.7
3 (CH2) 36.7
4 (C) 43.6
5 (CH) 55.9
6 (CH2) 20.2
7 (CH2) 44
8 (C) 35.9
9 (CH) 56.7
10 (C) 44.4
11 (CH2) 22
12 (CH2) 39.2
13 (C) 79.8
14 (CH2) 47.7
15 (CH2) 39.6
16 (C) 172.1
17 (CH3) 28.4
18 (CH3) 29.1
19 (C) 179.9
20 (CH3) 10.4