Mulin-11-ene-13-a-hydroxy-14-a-acetoxy-20-oic acid

Mulin-11-ene-13-a-hydroxy-14-a-acetoxy-20-oic acid

Common Name: Mulin-11-ene-13-a-hydroxy-14-a-acetoxy-20-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H34O5/c1-13(2)15-6-7-17-16-8-9-21(5,26)18(27-14(3)23)12-20(16,4)10-11-22(15,17)19(24)25/h8-9,13,15-18,26H,6-7,10-12H2,1-5H3,(H,24,25)/t15-,16+,17+,18-,20+,21+,22+/m1/s1

InChIKey: InChIKey=JJIIOGRIIJVYAS-ZELOLHMESA-N

Formula: C22H34O5

Molecular Weight: 378.5032

Exact Mass: 378.240624

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Chiaramello, A.I., Ardanaz, C.E., Garcia, E.E., Rossomando, P.C. Phytochemistry (2003) 63, 883-6

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) 24.8
2 (CH2) 28.7
3 (CH) 57.4
4 (CH) 31.7
5 (C) 58
6 (CH2) 32.1
7 (CH2) 41.9
8 (C) 36.1
9 (CH) 47
10 (CH) 50.7
11 (CH) 136.2
12 (CH) 132.4
13 (C) 72.2
14 (CH) 75.2
15 (CH2) 36.6
16 (CH3) 29.3
17 (CH3) 27.3
18 (CH3) 22.7
19 (CH3) 22.3
20 (C) 180.1
14a (C) 170.1
14b (CH3) 21.3