Spektraris NMR
xyloccensins Y
Common Name: xyloccensins Y
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O15/c1-14(34)45-22(27(39)43-7)23-28(4)13-31(40)21(25(28)46-15(2)35)26(47-16(3)36)33(42)18-10-20(38)48-24(17-8-9-44-12-17)29(18,5)19(37)11-32(33,41)30(23,31)6/h8-9,12,18-19,21-26,37,40-42H,10-11,13H2,1-7H3/t18-,19+,21+,22-,23+,24+,25-,26-,28-,29+,30-,31+,32+,33-/m1/s1
InChIKey: InChIKey=VBGZOHGNHYQYIF-CYHSWBFUSA-N
Formula: C33H42O15
Molecular Weight: 678.67887
Exact Mass: 678.252371
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Zhou, Y., Cheng, F., Wu, J., Zou, K. J Nat Prod (2006) 69, 1083-5
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) | 82.6 |
| 2 (CH) | 53.1 |
| 3 (CH) | 78.3 |
| 4 (C) | 46.8 |
| 5 (CH) | 46.4 |
| 6 (CH) | 73.6 |
| 7 (C) | 172.6 |
| 8 (C) | 78.2 |
| 9 (C) | 80 |
| 10 (C) | 55.2 |
| 11 (CH2) | 36.3 |
| 12 (CH) | 71.3 |
| 13 (C) | 42 |
| 14 (CH) | 43.7 |
| 15 (CH2) | 28.8 |
| 16 (C) | 173.1 |
| 17 (CH) | 79.3 |
| 18 (CH3) | 20.1 |
| 19 (CH3) | 15.9 |
| 20 (C) | 123.1 |
| 21 (CH) | 142 |
| 22 (CH) | 110.8 |
| 23 (CH) | 145 |
| 28 (CH2) | 16.5 |
| 29 (CH3) | 45.7 |
| 30 (CH) | 71.7 |
| 3a (C) | 171.2 |
| 3b (CH3) | 21.6 |
| 6a (C) | 172.2 |
| 6b (CH3) | 21.7 |
| 7a (CH3) | 53.5 |
| 30a (C) | 171.4 |
| 30b (CH3) | 21 |
