5a-hydroxy-ent-rosa-15-en-18-oic acid

5a-hydroxy-ent-rosa-15-en-18-oic acid

Common Name: 5a-hydroxy-ent-rosa-15-en-18-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O3/c1-5-17(2)11-12-18(3)14(13-17)8-10-20(23)15(18)7-6-9-19(20,4)16(21)22/h5,14-15,23H,1,6-13H2,2-4H3,(H,21,22)/t14-,15+,17-,18-,19-,20-/m0/s1

InChIKey: InChIKey=MXGSLCNVYMDELJ-ZNRYJCSXSA-N

Formula: C20H32O3

Molecular Weight: 320.467037

Exact Mass: 320.235145

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Liu, X.T., Shi, Y., Yu, B., Williams, I.D., Sung, H.H., Zhang, Q., Liang, J.Y., Ip, N.Y., Min, Z.D. Planta Med (2007) 73, 84-90

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Rosanes; 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) 20.8
2 (CH2) 20.3
3 (CH2) 32.8
4 (C) 51.1
5 (C) 76.3
6 (CH2) 34.4
7 (CH2) 24.8
8 (CH) 41.7
9 (C) 36.9
10 (CH) 48.3
11 (CH2) 35
12 (CH2) 31.8
13 (C) 36.3
14 (CH2) 39
15 (CH) 151.2
16 (CH2) 108.7
17 (CH3) 23.1
18 (C) 179.5
19 (CH3) 18.9
20 (CH3) 12