Cucurbita-5,23-diene -3β,25-diol

Cucurbita-5,23-diene -3β,25-diol

Common Name: Cucurbita-5,23-diene -3β,25-diol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H50O2/c1-20(10-9-16-26(2,3)32)21-15-17-30(8)24-13-11-22-23(12-14-25(31)27(22,4)5)28(24,6)18-19-29(21,30)7/h9,11,16,20-21,23-25,31-32H,10,12-15,17-19H2,1-8H3/b16-9+/t20-,21-,23-,24-,25+,28+,29-,30+/m1/s1

InChIKey: InChIKey=HUBCBTPRWVQPAJ-GKTYEPHCSA-N

Formula: C30H50O2

Molecular Weight: 442.717924

Exact Mass: 442.381081

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Nakano, S., Fujimoto, Y., Taishi, Y., Osorio, C., Duque, C. Fitoterapia (2004) 75, 609-11

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) 21.12
2 (CH2) 28.88
3 (CH) 76.64
4 (C) 41.42
5 (C) 141.25
6 (CH) 121.44
7 (CH2) 24.37
8 (CH) 43.67
9 (C) 34.48
10 (CH) 37.84
11 (CH2) 32.3
12 (CH2) 30.37
13 (C) 46.28
14 (C) 49.18
15 (CH2) 34.78
16 (CH2) 27.82
17 (CH) 50.18
18 (CH3) 15.43
19 (CH3) 28.03
20 (CH) 36.25
21 (CH3) 18.69
22 (CH2) 39.14
23 (CH) 125.48
24 (CH) 139.4
25 (C) 70.73
26 (CH3) 29.87
27 (CH3) 29.96
28 (CH3) 27.27
29 (CH3) 25.44
30 (CH3) 17.78