Spektraris NMR
Karaviloside IV
Common Name: Karaviloside IV
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H62O9/c1-19(2)16-24(45-33-31(43)30(42)29(41)26(18-38)46-33)28(40)20(3)21-12-13-37(8)32-25(44-9)17-23-22(10-11-27(39)34(23,4)5)35(32,6)14-15-36(21,37)7/h16-17,20-22,24-33,38-43H,10-15,18H2,1-9H3/t20-,21+,22+,24?,25-,26+,27-,28?,29+,30-,31+,32+,33+,35-,36+,37-/m0/s1
InChIKey: InChIKey=FHEJVLFYFWDFDA-PBPPWTEPSA-N
Formula: C37H62O9
Molecular Weight: 650.884199
Exact Mass: 650.439384
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Nakamura, S., Murakami, T., Nakamura, J., Kobayashi, H., Matsuda, H., Yoshikawa, M. Chem Pharm Bull (2006) 54, 1545-50
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cucurbitanes; 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 (CH2) | 21.8 |
| 2 (CH2) | 30.1 |
| 3 (CH) | 76.1 |
| 4 (C) | 42 |
| 5 (C) | 148.1 |
| 6 (CH) | 119.7 |
| 7 (CH) | 77.6 |
| 8 (CH) | 49 |
| 9 (C) | 34.3 |
| 10 (CH) | 39.3 |
| 11 (CH2) | 33 |
| 12 (CH2) | 30.7 |
| 13 (C) | 46.6 |
| 14 (C) | 48 |
| 15 (CH2) | 35.3 |
| 16 (CH2) | 27.9 |
| 17 (CH) | 46.5 |
| 18 (CH3) | 15.1 |
| 19 (CH3) | 29.2 |
| 20 (CH) | 40.8 |
| 21 (CH3) | 15.1 |
| 22 (CH) | 77.1 |
| 23 (CH) | 81.4 |
| 24 (CH) | 124.6 |
| 25 (C) | 135.6 |
| 26 (CH3) | 26.2 |
| 27 (CH3) | 18.7 |
| 28 (CH3) | 28.2 |
| 29 (CH3) | 26.2 |
| 30 (CH3) | 18.1 |
| 1' (CH) | 106.1 |
| 2' (CH) | 75.9 |
| 3' (CH) | 78.8 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.4 |
| 6' (CH2) | 62.8 |
| 7a (CH3) | 56.1 |
