3,18-Methylene-2α-acetoxyspongia-13(16),14-diene

3,18-Methylene-2α-acetoxyspongia-13(16),14-diene

Common Name: 3,18-Methylene-2α-acetoxyspongia-13(16),14-diene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H30O3/c1-13(23)25-17-10-22(4)18-6-5-14-11-24-12-16(14)20(18,2)8-7-19(22)21(3)9-15(17)21/h11-12,15,17-19H,5-10H2,1-4H3/t15-,17-,18+,19+,20+,21-,22-/m1/s1

InChIKey: InChIKey=SXQPRMYHDLDLBK-DROHOTTQSA-N

Formula: C22H30O3

Molecular Weight: 342.472627

Exact Mass: 342.219495

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ponomarenko, L.P., Kalinovsky, A.I., Afiyatullov, S., Pushilin, M.A., Gerasimenko, A.V., Krasokhin, V.B., Stonik, V.A. J Nat Prod (2007) 70, 1110-3

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Spongianes; 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) 40.3
2 (CH) 70
3 (CH) 22.8
4 (C) 21.4
5 (CH) 52.5
6 (CH2) 22.1
7 (CH2) 39.7
8 (C) 33.9
9 (CH) 51.9
10 (C) 39.1
11 (CH2) 18.8
12 (CH2) 20.4
13 (C) 119.7
14 (C) 137.4
15 (CH) 134.7
16 (CH) 137
17 (CH3) 26
18 (CH2) 21.6
19 (CH3) 22.7
20 (CH3) 13.4
2a (C) 171.2
2b (CH3) 21.5