microsphaeropsisinA

microsphaeropsisinA

Common Name: microsphaeropsisinA

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C16H20O4/c1-10-8-20-16(19-4)7-12-5-6-13(17)11(2)14(12,3)9-15(10,16)18/h5-7,11,18H,1,8-9H2,2-4H3/t11-,14+,15?,16?/m0/s1

InChIKey: InChIKey=HKZPSJMPWWKZDM-AMZBTWFVSA-N

Formula: C16H20O4

Molecular Weight: 276.328209

Exact Mass: 276.136159

NMR Solvent:

MHz:

Calibration:

NMR references: 13C - Shao, C., Wang, C., Li, C., She, Z., Gu, Y., Lin, Y. Nat Prod Res (2009) 23, 1579-83

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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 (CH) 143.7
2 (CH) 128.6
3 (C) 200.8
4 (CH) 53
5 (C) 40.1
6 (CH2) 43.8
7 (C) 76.7
8 (C) 100.8
9 (CH) 122.8
10 (C) 144.2
11 (C) 152.9
12 (CH2) 67.7
13 (CH2) 106.1
14 (CH3) 20.4
15 (CH3) 7
8a (CH3) 48.8