Spektraris NMR
6S-Hydroxykhayalactone
Common Name: 6S-Hydroxykhayalactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H34O10/c1-23-7-5-15-25(3)19(18(30)22(32)34-4)24(2)12-27(25,33)37-26(15,10-14(28)20(24)31)16(23)9-17(29)36-21(23)13-6-8-35-11-13/h6,8,11,15-16,18-21,30-31,33H,5,7,9-10,12H2,1-4H3/t15-,16-,18-,19+,20-,21+,23-,24?,25-,26-,27+/m1/s1
InChIKey: InChIKey=KNAFOZMWSBDDRF-HOSKOOQDSA-N
Formula: C27H34O10
Molecular Weight: 518.553904
Exact Mass: 518.215197
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhang, H., Odeku, O.A., Wang, X.N., Yue, J.M. Phytochemistry (2008) 69, 271-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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) | 118.1 |
| 2 (C) | 204.4 |
| 3 (CH) | 86.7 |
| 4 (C) | 47.3 |
| 5 (CH) | 44.1 |
| 6 (CH) | 73.4 |
| 7 (C) | 176.7 |
| 8 (C) | 83 |
| 9 (CH) | 55.7 |
| 10 (C) | 56.6 |
| 11 (CH2) | 17.8 |
| 12 (CH2) | 29.9 |
| 13 (C) | 39.7 |
| 14 (CH) | 54.6 |
| 15 (CH2) | 30.5 |
| 16 (C) | 172.7 |
| 17 (CH) | 80 |
| 18 (CH3) | 24.3 |
| 19 (CH3) | 20.8 |
| 20 (C) | 121.6 |
| 21 (CH) | 141.6 |
| 22 (CH) | 111 |
| 23 (CH) | 143.5 |
| 28 (CH3) | 25 |
| 29 (CH2) | 49.8 |
| 30 (CH2) | 38.6 |
| 7a (CH3) | 52.1 |
