Methyl ent-12β-acetoxy-7β-hydroxykaur-15-en-19-oate

Methyl ent-12β-acetoxy-7β-hydroxykaur-15-en-19-oate

Common Name: Methyl ent-12β-acetoxy-7β-hydroxykaur-15-en-19-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H34O5/c1-13-11-23-12-15(13)16(28-14(2)24)9-18(23)21(3)7-6-8-22(4,20(26)27-5)17(21)10-19(23)25/h11,15-19,25H,6-10,12H2,1-5H3/t15?,16-,17-,18-,19+,21+,22+,23-/m0/s1

InChIKey: InChIKey=FFEDTPXWBKQTGX-PGPAOYMJSA-N

Formula: C23H34O5

Molecular Weight: 390.513936

Exact Mass: 390.240624

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Gaspar-Marques, C., Simoes, M.F., Rodriguez, B. J Nat Prod (2004) 67, 614-21

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) 40.2
2 (CH2) 18.8
3 (CH2) 37.8
4 (C) 43.6
5 (CH) 53.2
6 (CH2) 29.5
7 (CH) 75.2
8 (C) 54.2
9 (CH) 47.3
10 (C) 37.9
11 (CH2) 24.9
12 (CH) 69.2
13 (CH) 48.5
14 (CH2) 28.8
15 (CH) 135.1
16 (C) 144.2
17 (CH3) 15.8
18 (CH3) 28.6
19 (C) 177.7
20 (CH3) 13.3
12a (C) 170.6
12b (CH3) 21.6
19a (CH3) 51.2