Common Name: Subergorgic acid Methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H24O3/c1-9-7-13(17)16-10(2)11(14(18)19-4)8-15(16,3)6-5-12(9)16/h8-10,12-13,17H,5-7H2,1-4H3/t9-,10+,12+,13-,15+,16?/m0/s1
InChIKey: InChIKey=DNRAOJZIENMCLJ-RNWJALOXSA-N
Formula: C16H24O3
Molecular Weight: 264.360567
Exact Mass: 264.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Parameswaran, P.S., Naik, C.G., Kamat, S.Y., Puar, M.S., Das, P., Hegde, V.R. J Nat Prod (1998) 61, 832-4
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Silphiperfolianes; 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)
Position | PPM |
---|---|
1 (C) | 68 |
2 (CH) | 76.1 |
3 (CH2) | 45.7 |
4 (CH) | 39.7 |
5 (CH) | 63.7 |
6 (CH2) | 30 |
7 (CH2) | 40.1 |
8 (C) | 59.1 |
9 (CH) | 153.6 |
10 (C) | 137.1 |
11 (CH) | 50.7 |
12 (CH3) | 20.4 |
13 (CH3) | 22.4 |
14 (C) | 165.6 |
15 (CH3) | 17.6 |
14a (CH3) | 51.3 |