Common Name: 19-Acetylsesterstatin 3
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O5/c1-15(28)32-21-10-12-25(4)17(24(21,2)3)9-11-26(5)18-8-7-16-14-31-23(30)22(16)27(18,6)20(29)13-19(25)26/h17-21,29H,7-14H2,1-6H3/t17-,18-,19+,20+,21-,25-,26-,27+/m0/s1
InChIKey: InChIKey=GRIVEGVPDUNMNE-JNBLGKNQSA-N
Formula: C27H40O5
Molecular Weight: 444.604524
Exact Mass: 444.287574
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Youssef, D.T., Yamaki, R.K., Kelly, M., Scheuer, P.J. J Nat Prod (2002) 65, 2-6
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Scalaranes; 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 (CH2) | 37.8 |
2 (CH2) | 23.6 |
3 (CH) | 80.6 |
4 (C) | 37.7 |
5 (CH) | 55.5 |
6 (CH2) | 17.8 |
7 (CH2) | 41.6 |
8 (C) | 37 |
9 (CH) | 57.7 |
10 (C) | 37.1 |
11 (CH2) | 25.9 |
12 (CH) | 75.4 |
13 (C) | 42.2 |
14 (CH) | 55 |
15 (CH2) | 16.5 |
16 (CH2) | 25.2 |
17 (C) | 162 |
18 (C) | 135.8 |
19 (C) | 175.8 |
20 (CH2) | 72.1 |
21 (CH3) | 27.9 |
22 (CH3) | 16.3 |
23 (CH3) | 17.1 |
24 (CH3) | 16 |
25 (CH3) | 16.7 |
3a (C) | 171 |
3b (CH3) | 21.7 |