22,29,30-trisnorneohop-13(18)-ene

22,29,30-trisnorneohop-13(18)-ene

Common Name: 22,29,30-trisnorneohop-13(18)-ene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H44/c1-23(2)13-8-15-25(4)21(23)12-16-27(6)22(25)11-10-20-19-9-7-14-24(19,3)17-18-26(20,27)5/h21-22H,7-18H2,1-6H3/t21-,22+,24-,25-,26+,27+/m0/s1

InChIKey: InChIKey=DQYRCOLJIFTLJT-DGMHDFATSA-N

Formula: C27H44

Molecular Weight: 368.639262

Exact Mass: 368.344301

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Dunlap N.K., Sabol M.R., Bauer P.E., Watt D.S., Reibenspies J.H., Anderson O.P., Seifert W.K., Moldowan J.M. J Org Chem (1985) 50, 1826

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Neohopanes; 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) 40.6
2 (CH2) 18.7
3 (CH2) 42
4 (C) 33.3
5 (CH) 56.7
6 (CH2) 18.8
7 (CH2) 34.5
8 (C) 42
9 (CH) 52.2
10 (C) 37.8
11 (CH2) 21.5
12 (CH2) 27.1
13 (C) 131.7
14 (C) 40.5
15 (CH2) 29.4
16 (CH2) 36.9
17 (C) 42.4
18 (C) 139.4
19 (CH2) 28
20 (CH2) 21.6
21 (CH2) 42.6
23 (CH3) 33.3
24 (CH3) 21.5
25 (CH3) 16.7
26 (CH3) 18.6
27 (CH3) 23.6
28 (CH3) 26.7