Spektraris NMR
1a,5a-Bisacetoxy-8-angeloyloxy-3b,4b-epoxy-bisabola-7(14),10-dien-2-one
Common Name: 1a,5a-Bisacetoxy-8-angeloyloxy-3b,4b-epoxy-bisabola-7(14),10-dien-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O8/c1-9-13(4)23(28)31-17(11-10-12(2)3)14(5)18-19(29-15(6)25)21(27)24(8)22(32-24)20(18)30-16(7)26/h9-10,17-20,22H,5,11H2,1-4,6-8H3/b13-9-/t17?,18-,19-,20+,22-,24+/m0/s1
InChIKey: InChIKey=ZCWNIRCWJUACBO-NCGWQPGSSA-N
Formula: C24H32O8
Molecular Weight: 448.507005
Exact Mass: 448.209718
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ryu, J.H., Jeong, Y.S., Sohn, D.H. J Nat Prod (1999) 62, 1437-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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) | 72.9 |
| 2 (C) | 199.9 |
| 3 (C) | 61.8 |
| 4 (CH) | 66.1 |
| 5 (CH) | 73 |
| 6 (CH) | 48.9 |
| 7 (C) | 146.1 |
| 8 (CH) | 75.3 |
| 9 (CH2) | 32.3 |
| 10 (CH) | 119.4 |
| 11 (C) | 134.9 |
| 12 (CH3) | 26.1 |
| 13 (CH3) | 18.4 |
| 14 (CH2) | 114.4 |
| 15 (CH3) | 14.8 |
| 1a (C) | 169.9 |
| 1b (CH3) | 21 |
| 5a (C) | 170.4 |
| 5b (CH3) | 20.7 |
| 8a (C) | 166.9 |
| 8b (C) | 128.2 |
| 8c (CH) | 139 |
| 8d (CH3) | 16.1 |
| 8ba (CH3) | 21.2 |
