Spektraris NMR
(23E)-5b,19-Epoxy-19-methoxycucurbita-6,23,25-trien-3b-ol
Common Name: (23E)-5b,19-Epoxy-19-methoxycucurbita-6,23,25-trien-3b-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H50O3/c1-20(2)10-9-11-21(3)22-14-16-29(7)23-15-17-31-24(12-13-25(32)27(31,4)5)30(23,26(33-8)34-31)19-18-28(22,29)6/h9-10,21-26,32H,1,11-19H2,2-8H3/b10-9+/t21-,22-,23+,24+,25+,26?,28-,29+,30+,31-/m1/s1
InChIKey: InChIKey=VDHNOBBQSXXBKW-MQENPAHKSA-N
Formula: C31H50O3
Molecular Weight: 470.728065
Exact Mass: 470.375995
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) | 17.4 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 76.2 |
| 4 (C) | 37.3 |
| 5 (C) | 86.8 |
| 6 (CH2) | 131 |
| 7 (CH2) | 132.8 |
| 8 (CH) | 41.7 |
| 9 (C) | 48 |
| 10 (CH) | 40.5 |
| 11 (CH2) | 23.2 |
| 12 (CH2) | 30.6 |
| 13 (C) | 45.1 |
| 14 (C) | 48.3 |
| 15 (CH2) | 33.5 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 50.3 |
| 18 (CH3) | 14.7 |
| 19 (CH) | 112.1 |
| 20 (CH) | 36.6 |
| 21 (CH3) | 18.8 |
| 22 (CH2) | 39.8 |
| 23 (CH) | 129.3 |
| 24 (CH) | 134.2 |
| 25 (C) | 142.2 |
| 26 (CH2) | 114.1 |
| 27 (CH3) | 18.7 |
| 28 (CH3) | 24.1 |
| 29 (CH3) | 19.8 |
| 30 (CH3) | 20.5 |
| 19a (CH3) | 58.2 |
