3α-Acetoxyspongia-13(16),14-diene

3α-Acetoxyspongia-13(16),14-diene

Common Name: 3α-Acetoxyspongia-13(16),14-diene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H32O3/c1-14(23)25-19-9-11-22(5)17(20(19,2)3)8-10-21(4)16-13-24-12-15(16)6-7-18(21)22/h12-13,17-19H,6-11H2,1-5H3/t17-,18-,19+,21-,22-/m0/s1

InChIKey: InChIKey=DUYNKHFSOPGXQD-GVMRPCBKSA-N

Formula: C22H32O3

Molecular Weight: 344.488509

Exact Mass: 344.235145

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) 33.7
2 (CH2) 22.7
3 (CH) 78.3
4 (C) 36.9
5 (CH) 50.4
6 (CH2) 18.3
7 (CH2) 41.1
8 (C) 34.3
9 (CH) 55.9
10 (C) 37.3
11 (CH2) 18
12 (CH2) 20.6
13 (C) 119.7
14 (C) 137.6
15 (CH) 135
16 (CH) 136.8
17 (CH3) 26.2
18 (CH3) 27.9
19 (CH3) 21.6
20 (CH3) 16.1
3a (C) 170.1
3b (CH3) 21.3