Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C36H58O9/c1-20(9-8-14-31(2,3)42)21-12-15-34(7)23-13-16-36-24(35(23,30(41)45-36)18-17-33(21,34)6)10-11-25(32(36,4)5)44-29-28(40)27(39)26(38)22(19-37)43-29/h8,13-14,16,20-30,37-42H,9-12,15,17-19H2,1-7H3/b14-8+/t20-,21-,22-,23+,24+,25+,26-,27-,28-,29+,30?,33-,34+,35+,36-/m1/s1

InChIKey: InChIKey=MWDOAJPNPCZJEI-OZSUBXPBSA-N

Formula: C36H58O9

Molecular Weight: 634.8417

Exact Mass: 634.408083

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Li, Q.Y., Liang, H., Chen, H.B., Wang, B., Zhao, Y.Y. Chin Chem Lett (2007) 18, 843-5

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) 18.6
2 (CH2) 27.2
3 (CH) 84.7
4 (C) 38.8
5 (C) 84.1
6 (CH) 134.9
7 (CH) 131.1
8 (CH) 41.6
9 (C) 48.2
10 (CH) 41.6
11 (CH2) 23.1
12 (CH2) 30.8
13 (C) 45.1
14 (C) 47.7
15 (CH2) 33.7
16 (CH2) 27.9
17 (CH) 50.1
18 (CH3) 14.6
19 (CH) 104.8
20 (CH) 36.6
21 (CH3) 18.2
22 (CH2) 39.3
23 (CH) 124.1
24 (CH) 141.4
25 (C) 69.4
26 (CH3) 30.6
27 (CH3) 30.6
28 (CH3) 24.7
29 (CH3) 21
30 (CH3) 19.6
1' (CH) 103.4
2' (CH) 73.1
3' (CH) 72
4' (CH) 69.4
5' (CH) 75.9
6' (CH2) 62