3β-Acetoxy-19-hydroxyspongia-13(16),14-dien-2-one

3β-Acetoxy-19-hydroxyspongia-13(16),14-dien-2-one

Common Name: 3β-Acetoxy-19-hydroxyspongia-13(16),14-dien-2-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H30O5/c1-13(24)27-19-16(25)9-21(3)17-6-5-14-10-26-11-15(14)20(17,2)8-7-18(21)22(19,4)12-23/h10-11,17-19,23H,5-9,12H2,1-4H3/t17-,18+,19+,20-,21+,22+/m0/s1

InChIKey: InChIKey=RXAHIJGRSQAORT-SPZHGEQOSA-N

Formula: C22H30O5

Molecular Weight: 374.471437

Exact Mass: 374.209324

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Somerville, M.J., Mollo, E., Cimino, G., Rungprom, W., Garson, M.J. J Nat Prod (2006) 69, 1086-8

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) 54.1
2 (C) 205
3 (CH) 77.2
4 (C) 45.5
5 (CH) 53.8
6 (CH2) 20
7 (CH2) 40.2
8 (C) 33.9
9 (CH) 56.3
10 (C) 39.4
11 (CH2) 19.2
12 (CH2) 20.6
13 (C) 119
14 (C) 136
15 (CH) 136.8
16 (CH) 135.2
17 (CH3) 25.3
18 (CH3) 20.7
19 (CH2) 64.4
20 (CH3) 19.3
3a (C) 170.6
3b (CH3) 20.6