20-Acetoxy-19-hydroxyspongia-13(16),14-diene

20-Acetoxy-19-hydroxyspongia-13(16),14-diene

Common Name: 20-Acetoxy-19-hydroxyspongia-13(16),14-diene

Synonyms: 20-Acetoxy-19-hydroxyspongia-13(16),14-diene

CAS Registry Number:

InChI: InChI=1S/C22H32O4/c1-15(24)26-14-22-9-4-8-20(2,13-23)18(22)7-10-21(3)17-12-25-11-16(17)5-6-19(21)22/h11-12,18-19,23H,4-10,13-14H2,1-3H3/t18-,19-,20+,21-,22+/m0/s1

InChIKey: InChIKey=SMXDQQCBDPYKBT-BIRZXAFVSA-N

Formula: C22H32O4

Molecular Weight: 360.487914

Exact Mass: 360.23006

NMR Solvent: C6D6

MHz:

Calibration:

NMR references: 13C - Carroll, A.R., Lamb, J., Moni, R., Hooper, J.N.A., Quinn, R.J. J Nat Prod (2008) 71, 884-6

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) 35.6
2 (CH2) 19.4
3 (CH2) 35.8
4 (C) 38.2
5 (CH) 57.2
6 (CH2) 18.3
7 (CH2) 42.3
8 (C) 34.8
9 (CH) 57.6
10 (C) 41.7
11 (CH2) 21
12 (CH2) 22.6
13 (C) 120
14 (C) 137.5
15 (CH) 135.7
16 (CH) 136.9
17 (CH3) 25.8
18 (CH3) 27.4
19 (CH2) 65.5
20 (CH2) 64.5
20a (C) 170
20b (CH3) 20.4