3β,8α-Dihydroxy-13-methoxyl-4(14),10(15)-dien-(1αH,5αH,6βH,11βH)-12,6-olide

3β,8α-Dihydroxy-13-methoxyl-4(14),10(15)-dien-(1αH,5αH,6βH,11βH)-12,6-olide

Common Name: 3β,8α-Dihydroxy-13-methoxyl-4(14),10(15)-dien-(1αH,5αH,6βH,11βH)-12,6-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C16H22O5/c1-7-4-12(18)14-10(6-20-3)16(19)21-15(14)13-8(2)11(17)5-9(7)13/h9-15,17-18H,1-2,4-6H2,3H3/t9-,10-,11-,12-,13-,14+,15+/m0/s1

InChIKey: InChIKey=OHBOIBZOQYLSCA-SFWGVHFYSA-N

Formula: C16H22O5

Molecular Weight: 294.343496

Exact Mass: 294.146724

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ren, G., Yu, Z.M., Chen, Y.L., Wu, S.H., Fu, C.X. Nat Prod Res (2007) 21, 221-6

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) 43.5
2 (CH2) 38.6
3 (CH) 73.5
4 (C) 152.7
5 (CH) 50
6 (CH) 80.5
7 (CH) 52.8
8 (CH) 69.6
9 (CH2) 43.6
10 (C) 143.4
11 (CH) 44.9
12 (C) 176.2
13 (CH2) 69.4
14 (CH2) 115.9
15 (CH2) 112.2
13a (CH3) 59.2