Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O11/c1-11(12(2)35-13(3)28)22(31)37-19-15-8-27-14-7-17(29)21(27)26(15,6)24(32)38-20(19)16(27)10-34-23(14)36-18(30)9-25(4,5)33/h10-12,14-15,17,19-21,23,29,33H,7-9H2,1-6H3/t11?,12?,14-,15-,17+,19-,20+,21-,23-,26+,27-/m0/s1
InChIKey: InChIKey=VTJDQCOBISUPSR-XNJXUIBTSA-N
Formula: C27H36O11
Molecular Weight: 536.569191
Exact Mass: 536.225762
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kotowicz, C., Hernandez, L.R., Cerda-Garcia-Rojas, C.M., Villecco, M.B., Catalan, C.A., Joseph-Nathan, P. J Nat Prod (2001) 64, 1326-31
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Miscellanea; 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 (CH2) | 41.9 |
2 (CH) | 49.2 |
3 (CH) | 74.5 |
4 (CH) | 76.4 |
5 (C) | 117.8 |
6 (C) | 53.8 |
7 (CH) | 40.4 |
8 (CH2) | 40.9 |
9 (CH) | 72.8 |
10 (CH) | 61.8 |
11 (C) | 49.7 |
12 (C) | 176.9 |
13 (CH3) | 20 |
14 (CH) | 95.5 |
15 (CH) | 139.9 |
3a (C) | 172.8 |
3b (CH) | 44.3 |
3c (CH) | 70.8 |
3d (CH3) | 17.6 |
3ba (CH3) | 12.2 |
3ca (C) | 170.4 |
3cb (CH3) | 21.1 |
14a (C) | 171 |
14b (CH2) | 46.7 |
14c (C) | 69.2 |
14d (CH3) | 29.3 |
14e (CH3) | 29.2 |