7-Oxo-24-dihydro-10a-cucurbitadienol

7-Oxo-24-dihydro-10a-cucurbitadienol

Common Name: 7-Oxo-24-dihydro-10a-cucurbitadienol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H50O2/c1-19(2)10-9-11-20(3)21-14-15-30(8)26-24(31)18-23-22(12-13-25(32)27(23,4)5)28(26,6)16-17-29(21,30)7/h18-22,25-26,32H,9-17H2,1-8H3/t20-,21-,22-,25+,26-,28+,29-,30+/m1/s1

InChIKey: InChIKey=POLBEYMQPIATRD-MVAYMFADSA-N

Formula: C30H50O2

Molecular Weight: 442.717924

Exact Mass: 442.381081

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Akihisa, T., Yasukawa, K., Kimura, Y., Takido, M., Kokke, W., Tamura, T. Phytochemistry (1994) 36, 153-7

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) 20.9
2 (CH2) 28.7
3 (CH) 76.7
4 (C) 42.8
5 (C) 168.9
6 (CH) 126
7 (C) 203
8 (CH) 59.8
9 (C) 35.9
10 (CH) 40.3
11 (CH2) 31.3
12 (CH2) 34.5
13 (C) 45.7
14 (C) 48.5
15 (CH2) 29.9
16 (CH2) 27.9
17 (CH) 50
18 (CH3) 15.3
19 (CH3) 27.9
20 (CH) 36.1
21 (CH3) 18.8
22 (CH2) 36.5
23 (CH2) 24
24 (CH2) 39.5
25 (CH) 28
26 (CH3) 22.5
27 (CH3) 22.8
28 (CH3) 27.8
29 (CH3) 24.8
30 (CH3) 18.1