7α,16-Hydroxy mulin-11,13-dien-20-oic acid

7α,16-Hydroxy mulin-11,13-dien-20-oic acid

Common Name: 7α,16-Hydroxy mulin-11,13-dien-20-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O4/c1-12(2)14-6-7-16-15-5-4-13(11-21)8-9-19(15,3)17(22)10-20(14,16)18(23)24/h4-5,8,12,14-17,21-22H,6-7,9-11H2,1-3H3,(H,23,24)/t14-,15+,16+,17-,19+,20+/m1/s1

InChIKey: InChIKey=HMMKQBYQTLJOKF-XWIHJEQYSA-N

Formula: C20H30O4

Molecular Weight: 334.45056

Exact Mass: 334.214409

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Areche, C., Loyola, L.A., Borquez, J., Rovirosa, J., San-Martin, A. Magn Reson Chem (2008) 46, 765-8

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Mulinanes; 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) 24.3
2 (CH2) 28.8
3 (CH) 57.5
4 (CH) 31.9
5 (C) 56.7
6 (CH2) 40.6
7 (CH) 76.5
8 (C) 39.6
9 (CH) 48.6
10 (CH) 54.7
11 (CH) 133.1
12 (CH) 124.8
13 (C) 136.5
14 (CH) 127.5
15 (CH2) 39.6
16 (CH2) 69.1
17 (CH3) 27.4
18 (CH3) 22.7
19 (CH3) 22.3
20 (C) 178.5