4α-carboxy-1α,7α,15α-trihydroxy-15,16-seco-ent-19-norbeyeran-16-oic acid 15,16-lactone

4α-carboxy-1α,7α,15α-trihydroxy-15,16-seco-ent-19-norbeyeran-16-oic acid 15,16-lactone

Common Name: 4α-carboxy-1α,7α,15α-trihydroxy-15,16-seco-ent-19-norbeyeran-16-oic acid 15,16-lactone

Synonyms:

CAS Registry Number:

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

InChIKey: InChIKey=LXXJPTXNBVBUTL-FCOZNMPNSA-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
2 (CH2) 30.9
3 (CH2) 36.9
4 (C) 43.2
5 (CH) 46
6 (CH2) 29.5
7 (CH) 72.5
8 (C) 39.8
9 (CH) 51
10 (C) 44.4
11 (CH2) 24.2
12 (CH2) 40.3
13 (C) 39.8
14 (CH2) 43.3
15 (CH2) 77.3
16 (C) 176.6
17 (CH3) 25.8
18 (CH3) 29
19 (C) 180.1
20 (CH3) 10.4