Common Name: 6',7'-Dihydro-scutionin aB
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C60H82O8/c1-35-36-15-17-41-53(6,25-29-57(10)43-33-51(4,47(62)65-13)21-19-49(43,2)23-27-55(41,57)8)38(36)31-40-46(35)68-59(12)37-16-18-42-54(7,39(37)32-45(61)60(59,64)67-40)26-30-58(11)44-34-52(5,48(63)66-14)22-20-50(44,3)24-28-56(42,58)9/h16,18,31-32,41,43-44,64H,15,17,19-30,33-34H2,1-14H3/t41?,43?,44-,49-,50-,51-,52-,53+,54+,55-,56-,57+,58+,59+,60-/m1/s1
InChIKey: InChIKey=CZDJSGYCJMBBCA-LATCJNRFSA-N
Formula: C60H82O8
Molecular Weight: 931.290535
Exact Mass: 930.60097
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gonzalez, A.G., Kennedy, M.L., Rodriguez, F.M., Bazzocchi, I.L., Jimenez, I.A., Ravelo, A.G., Moujir, L Tetrahedron (2001) 57, 1283-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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)
Position | PPM |
---|---|
1 (CH) | 115.4 |
2 (C) | 191.2 |
3 (C) | 91.7 |
4 (C) | 79.9 |
5 (C) | 130.8 |
6 (CH) | 126.1 |
7 (CH) | 116.2 |
8 (C) | 160.6 |
9 (C) | 41.7 |
10 (C) | 173.8 |
11 (CH2) | 32.7 |
12 (CH2) | 29.5 |
13 (C) | 38.1 |
14 (C) | 44.5 |
15 (CH2) | 28.4 |
16 (CH2) | 36.5 |
17 (C) | 30.5 |
18 (CH) | 44.6 |
19 (CH2) | 30.9 |
20 (C) | 40.5 |
21 (CH2) | 29.87 |
22 (CH2) | 34.8 |
23 (CH3) | 22.4 |
25 (CH3) | 34.8 |
26 (CH3) | 22.5 |
27 (CH3) | 18.6 |
28 (CH3) | 31.6 |
29 (C) | 179.1 |
30 (CH3) | 32.9 |
1' (CH) | 110.4 |
2' (C) | 139.1 |
3' (C) | 136.2 |
4' (C) | 122.9 |
5' (C) | 127.9 |
6' (CH2) | 26.38 |
7' (CH2) | 18.5 |
8' (CH) | 43.9 |
9' (C) | 36.8 |
10' (C) | 144.4 |
11' (CH2) | 33.9 |
12' (CH2) | 30 |
13' (C) | 38.9 |
14' (C) | 39.4 |
15' (CH2) | 28.9 |
16' (CH2) | 36.4 |
17' (C) | 30.6 |
18' (CH) | 44.1 |
19' (CH2) | 30.4 |
20' (C) | 40.4 |
21' (CH2) | 30.3 |
22' (CH2) | 36.3 |
23' (CH3) | 10.9 |
25' (CH3) | 27.2 |
26' (CH3) | 15.8 |
27' (CH3) | 17.2 |
28' (CH3) | 31.8 |
29' (C) | 178.7 |
30' (CH3) | 32.7 |
29a (CH3) | 51.7 |
29'a (CH3) | 51.5 |