Cucurbitacin D diacetate

Cucurbitacin D diacetate

Common Name: Cucurbitacin D diacetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C34H48O9/c1-18(35)42-22-15-21-20(30(5,6)28(22)39)11-12-24-31(7)16-23(43-19(2)36)27(32(31,8)17-26(38)33(21,24)9)34(10,41)25(37)13-14-29(3,4)40/h11,13-14,21-24,27,40-41H,12,15-17H2,1-10H3/b14-13+/t21-,22+,23-,24+,27+,31+,32-,33+,34+/m1/s1

InChIKey: InChIKey=LBTYUHBOOBONKC-ZHECFNFVSA-N

Formula: C34H48O9

Molecular Weight: 600.740821

Exact Mass: 600.329833

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)

Carbon NMR Peaks

Position PPM
1 (CH2) 32
2 (CH) 73.3
3 (C) 205.7
4 (C) 48.4
5 (C) 139.8
6 (CH) 120.4
7 (CH2) 23.7
8 (CH) 42.1
9 (C) 48.1
10 (CH) 34.3
11 (C) 211.9
12 (CH2) 48.6
13 (C) 50
14 (C) 51.3
15 (CH2) 43.1
16 (CH) 73.7
17 (CH) 54
18 (CH3) 19.8
19 (CH3) 18.9
20 (C) 77.7
21 (CH3) 23.6
22 (C) 201.3
23 (CH) 118.5
24 (CH) 155.5
25 (C) 71.3
26 (CH3) 29.5
27 (CH3) 29.7
28 (CH3) 21.3
29 (CH3) 28.6
30 (CH3) 20
2a (C) 170.1
2b (CH3) 20.7
16a (C) 170.1
16b (CH3) 20.7