Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C37H56O7/c1-10-20(2)30(40)43-28-13-14-34(8)25-12-15-36-19-37(36,35(25,9)27(39)18-26(34)32(28,4)5)16-11-23(36)22-17-24(29-33(6,7)44-29)42-31(22)41-21(3)38/h10,22-29,31,39H,11-19H2,1-9H3/b20-10+/t22-,23-,24+,25+,26-,27+,28-,29+,31+,34+,35-,36+,37+/m0/s1

InChIKey: InChIKey=ZTZJTUKFXCXSFF-ULNGEJNTSA-N

Formula: C37H56O7

Molecular Weight: 612.837745

Exact Mass: 612.402604

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Su, B.N., Chai, H., Mi, Q., Riswan, S., Kardono, L.B.S., Afriastini, J.J., Santarsiero, B.D., Mesecar, A.D., Farnsworth, N.R., Cordell, G.A., Swanson, S.M., Kinghorn, A.D. Bioorg Med Chem (2006) 14, 960-72

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloapotirucallanes; 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) 38.3
2 (CH2) 23.5
3 (CH) 80.6
4 (C) 37.6
5 (CH) 46.1
6 (CH2) 24.2
7 (CH) 74.3
8 (C) 38.8
9 (CH) 44
10 (C) 37.2
11 (CH2) 16.3
12 (CH2) 25.8
13 (C) 28.3
14 (C) 36.2
15 (CH2) 26
16 (CH2) 25.8
17 (CH) 48.1
18 (CH2) 13.9
19 (CH3) 15.9
20 (CH) 48.5
21 (CH) 101.4
22 (CH2) 31.9
23 (CH) 79.3
24 (CH) 64.9
25 (C) 57
26 (CH3) 19.5
27 (CH3) 24.9
28 (CH3) 27.8
29 (CH3) 16.9
30 (CH3) 19.5
3a (C) 167.8
3b (C) 129.3
3c (CH) 136.5
3d (CH3) 14.3
3ba (CH3) 12.1
21a (C) 170.5
21b (CH3) 21.4