Subergorgic acid Methyl ester

Subergorgic acid Methyl ester

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)

Carbon NMR Peaks

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