Common Name: Cucurbitacin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1
InChIKey: InChIKey=SRPHMISUTWFFKJ-QJNWWGCFSA-N
Formula: C30H44O7
Molecular Weight: 516.667305
Exact Mass: 516.308704
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vande, V., Lavie, D. Tetrahedron (1983) 39, 317
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) | 36 |
2 (CH) | 71.7 |
3 (C) | 212.4 |
4 (C) | 50.3 |
5 (C) | 140.6 |
6 (CH) | 120.3 |
7 (CH2) | 24 |
8 (CH) | 42.5 |
9 (C) | 48.4 |
10 (CH) | 33.8 |
11 (C) | 213.1 |
12 (CH2) | 48.8 |
13 (C) | 48.3 |
14 (C) | 50.9 |
15 (CH2) | 45.6 |
16 (CH) | 71.5 |
17 (CH) | 57.3 |
18 (CH3) | 20.1 |
19 (CH3) | 19.3 |
20 (C) | 78.2 |
21 (CH3) | 24 |
22 (C) | 202.7 |
23 (CH) | 119.1 |
24 (CH) | 156 |
25 (C) | 71.2 |
26 (CH3) | 28.9 |
27 (CH3) | 29.6 |
28 (CH3) | 21.3 |
29 (CH3) | 29.4 |
30 (CH3) | 20.1 |