Zerumin B

Zerumin  B

Common Name: Zerumin B

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O4/c1-12-6-7-16-19(2,3)8-5-9-20(16,4)14(12)11-15(21)13-10-17(22)24-18(13)23/h10,14-17,21-22H,1,5-9,11H2,2-4H3/t14-,15?,16-,17?,20+/m0/s1

InChIKey: InChIKey=RWRUMHLQHKUMDS-GISXUQSNSA-N

Formula: C20H30O4

Molecular Weight: 334.45056

Exact Mass: 334.214409

NMR Solvent: CD3COCD3

MHz:

Calibration:

NMR references: 13C - Xu, H.X., Dong, H., Sim, K.Y. Phytochemistry (1996) 42, 149-51

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 39.5
2 (CH2) 19.9
3 (CH2) 42.7
4 (C) 34
5 (CH) 52.5
6 (CH2) 25
7 (CH2) 38.9
8 (C) 148
9 (CH) 56.1
10 (C) 39.5
11 (CH2) 31.7
12 (CH) 65.2
13 (C) 142.8
14 (CH) 145
15 (CH) 98.1
16 (C) 171
17 (CH2) 107.9
18 (CH3) 34
19 (CH3) 22
20 (CH3) 15