Ent-7a,11b,13-Trihydroxykaur-16-en-19-oic acid

Ent-7a,11b,13-Trihydroxykaur-16-en-19-oic acid

Common Name: Ent-7a,11b,13-Trihydroxykaur-16-en-19-oic acid

Synonyms:

CAS Registry Number:

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

InChIKey: InChIKey=JLUQPVMIRTUOCX-SSKYDLQKSA-N

Formula: C20H30O5

Molecular Weight: 350.449965

Exact Mass: 350.209324

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Yang, L.M., Hsu, F.L., Chang, S.F., Cheng, J.T., Hsu, J.Y., Hsu, C.Y., Liu, P.C., Lin, S.J. Phytochemistry (2007) 68, 562-70

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) 43.3
2 (CH2) 20.3
3 (CH2) 30.1
4 (C) 43.9
5 (CH) 48.4
6 (CH2) 30.6
7 (CH) 76.9
8 (C) 46.3
9 (CH) 53
10 (C) 41.4
11 (CH) 70.9
12 (CH2) 51.5
13 (C) 78.7
14 (CH2) 47
15 (CH2) 45.1
16 (C) 158.2
17 (CH2) 102.6
18 (CH3) 29.9
19 (C) 180.9
20 (CH3) 16.8