Rudmollitrin

Rudmollitrin

Common Name: Rudmollitrin

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C17H24O5/c1-9-4-5-12-10(2)16(20)22-15(12)17(8-21-11(3)18)13(9)6-7-14(17)19/h9-10,12-13,15H,4-8H2,1-3H3/t9-,10?,12-,13-,15+,17-/m0/s1

InChIKey: InChIKey=RRFWQKAQYSNZEU-HAGUQETFSA-N

Formula: C17H24O5

Molecular Weight: 308.370113

Exact Mass: 308.162374

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Herz, W., Kumar, N., Blount, J.F. J Org Chem (1981) 46, 1356

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Ambrosanes; 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 (CH) 47.5
2 (CH2) 24.5
3 (CH2) 37.4
4 (C) 215.7
5 (C) 56.7
6 (CH) 81.6
7 (CH) 46.2
8 (CH2) 24.8
9 (CH2) 32
10 (CH) 33.9
11 (CH) 40
12 (C) 178.3
13 (CH3) 14.7
14 (CH3) 15.6
15 (CH2) 63.6
15a (C) 169.8
15b (CH3) 20.7