4α-Carboxy-1α,7β,11β,13R-tetrahydroxy-13α,16-seco-ent-19-norbeyeran-16-oic acid 13,16-lactone

4α-Carboxy-1α,7β,11β,13R-tetrahydroxy-13α,16-seco-ent-19-norbeyeran-16-oic acid 13,16-lactone

Common Name: 4α-Carboxy-1α,7β,11β,13R-tetrahydroxy-13α,16-seco-ent-19-norbeyeran-16-oic acid 13,16-lactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O7/c1-17-7-10(21)15-19(3)11(18(2,16(25)26)5-4-12(19)22)6-13(23)20(15,9-17)8-14(24)27-17/h10-13,15,21-23H,4-9H2,1-3H3,(H,25,26)/t10-,11+,12-,13-,15-,17-,18+,19-,20-/m0/s1

InChIKey: InChIKey=PJDAOTFHVKYNJA-XWGHIXMPSA-N

Formula: C20H30O7

Molecular Weight: 382.448775

Exact Mass: 382.199153

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) 77.9
2 (CH2) 29.8
3 (CH2) 36.5
4 (C) 43.5
5 (CH) 45.7
6 (CH2) 28.4
7 (CH) 75.3
8 (C) 41.4
9 (CH) 57.2
10 (C) 46.6
11 (CH) 64.3
12 (CH2) 49.3
13 (C) 80.6
14 (CH2) 43.2
15 (CH2) 39.2
16 (C) 171.1
17 (CH3) 28.2
18 (CH3) 29.4
19 (C) 180.3
20 (CH3) 12