Ent-9a,13-dihydroxy-16b,17-epoxykauran-19-oic acid

Ent-9a,13-dihydroxy-16b,17-epoxykauran-19-oic acid

Common Name: Ent-9a,13-dihydroxy-16b,17-epoxykauran-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O5/c1-15(14(21)22)5-3-6-16(2)13(15)4-7-17-10-18(23,8-9-20(16,17)24)19(11-17)12-25-19/h13,23-24H,3-12H2,1-2H3,(H,21,22)/t13-,15-,16-,17+,18+,19+,20-/m1/s1

InChIKey: InChIKey=YPCIKXMTKJCYQR-FQALRZLUSA-N

Formula: C20H30O5

Molecular Weight: 350.449965

Exact Mass: 350.209324

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Chang, S.F., Yang, L.M., Hsu, F.L., Hsu, J.Y., Liaw, J.H., Lin, S.J. J Nat Prod (2006) 69, 1450-5

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) 32.9
2 (CH2) 19.9
3 (CH2) 38.5
4 (C) 44
5 (CH) 49.6
6 (CH2) 22.8
7 (CH2) 37.9
8 (C) 46.7
9 (C) 76.7
10 (C) 44.5
11 (CH2) 31
12 (CH2) 35.1
13 (C) 80
14 (CH2) 45.6
15 (CH2) 48
16 (C) 77.8
17 (CH2) 51.7
18 (CH3) 29.5
19 (C) 180.5
20 (CH3) 17.9