Spektraris NMR
(23E)-3b-Hydroxy-7b,25-dimethoxycucurbita-5,23-dien-19-al
Common Name: (23E)-3b-Hydroxy-7b,25-dimethoxycucurbita-5,23-dien-19-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O4/c1-21(11-10-15-28(2,3)36-9)22-14-16-31(7)27-25(35-8)19-24-23(12-13-26(34)29(24,4)5)32(27,20-33)18-17-30(22,31)6/h10,15,19-23,25-27,34H,11-14,16-18H2,1-9H3/b15-10+/t21-,22-,23-,25+,26+,27+,30-,31+,32-/m1/s1
InChIKey: InChIKey=RJZHRGIIKCKCRF-NUDRNVDMSA-N
Formula: C32H52O4
Molecular Weight: 500.754088
Exact Mass: 500.38656
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kimura, Y., Akihisa, T., Yuasa, N., Ukiya, M., Suzuki, T., Toriyama, M., Motohashi, S., Tokuda, H. J Nat Prod (2005) 68, 807-9
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) | 21.6 |
| 2 (CH2) | 29.8 |
| 3 (CH) | 75.6 |
| 4 (C) | 42 |
| 5 (C) | 147.7 |
| 6 (CH) | 121.1 |
| 7 (CH) | 75.7 |
| 8 (CH) | 45.8 |
| 9 (C) | 50.3 |
| 10 (CH) | 36.8 |
| 11 (CH2) | 22.6 |
| 12 (CH2) | 29.4 |
| 13 (C) | 45.9 |
| 14 (C) | 47.9 |
| 15 (CH2) | 35.1 |
| 16 (CH2) | 27.7 |
| 17 (CH) | 50.3 |
| 18 (CH3) | 15 |
| 19 (CH) | 207.2 |
| 20 (CH) | 36.4 |
| 21 (CH3) | 19 |
| 22 (CH2) | 39.7 |
| 23 (CH) | 128.4 |
| 24 (CH) | 137.8 |
| 25 (C) | 74.9 |
| 26 (CH3) | 26.1 |
| 27 (CH3) | 26.5 |
| 28 (CH3) | 27.3 |
| 29 (CH3) | 18.2 |
| 30 (CH3) | 26.2 |
| 7a (CH3) | 55.9 |
| 25a (CH3) | 50.2 |
