Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H26O9/c1-10-14-9-15-18(5,27-12(3)23)7-8-20(15)19(6,30-20)17(26-11(2)22)21(14,28-13(4)24)29-16(10)25/h15,17H,7-9H2,1-6H3/t15-,17+,18+,19-,20+,21-/m1/s1

InChIKey: InChIKey=QQQQONVDRWBZCQ-WTTLALBISA-N

Formula: C21H26O9

Molecular Weight: 422.426558

Exact Mass: 422.157682

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Matsuda, H., Morikawa, T., Toguchida, I., Ninomiya, K., Yoshikawa, M. Chem Pharm Bull (2001) 49, 1558-66

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 (C) 70.5
2 (CH2) 29.9
3 (CH2) 36.6
4 (C) 88.6
5 (CH) 49.8
6 (CH2) 21.1
7 (C) 156.3
8 (C) 115.2
9 (CH) 75.7
10 (C) 61
11 (C) 128.8
12 (C) 172
13 (CH3) 8.3
14 (CH3) 21.9
15 (CH3) 18.9
4a (C) 169.6
4b (CH3) 20.3
8a (C) 170.5
8b (CH3) 21.4
9a (C) 172
9b (CH3) 23.8