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)
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 |