Methyl ent-11?,13-dihydroxy-15,16-epoxikauran-19-oate

Methyl ent-11?,13-dihydroxy-15,16-epoxikauran-19-oate

Common Name: Methyl ent-11?,13-dihydroxy-15,16-epoxikauran-19-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H32O5/c1-17-7-5-8-18(2,16(23)25-4)13(17)6-9-20-11-21(24,10-12(22)14(17)20)19(3)15(20)26-19/h12-15,22,24H,5-11H2,1-4H3/t12-,13-,14-,15-,17+,18+,19+,20+,21-/m0/s1

InChIKey: InChIKey=VKAMXXIBWLSEBU-QBHQLGPDSA-N

Formula: C21H32O5

Molecular Weight: 364.476583

Exact Mass: 364.224974

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - de Oliveira, B.H., Dias, S.J., Leal, P.C. J Braz Chem Soc (2005) 16, 210-3

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) 41.4
2 (CH2) 18.8
3 (CH2) 37.7
4 (C) 43.5
5 (CH) 56.7
6 (CH2) 20.8
7 (CH2) 44.9
8 (C) 46.8
9 (CH) 57.5
10 (C) 36.7
11 (CH) 87.4
12 (CH2) 46.7
13 (C) 86
14 (CH2) 32.7
15 (CH) 74.5
16 (C) 83.8
17 (CH3) 28.7
18 (CH3) 17.3
19 (C) 178.1
20 (CH3) 14.7
19a (CH3) 51.3