Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C50H76O14/c1-30(11-10-23-51)29-57-46(55)47(7,56)28-37-14-15-41(53)50(61-37)27-31(2)25-40(62-50)32(3)12-13-36-17-21-49(60-36)22-18-39-45(64-49)42(54)35(6)44(59-39)38(52)26-34(5)43-33(4)16-20-48(63-43)19-8-9-24-58-48/h10-13,27,32-34,36-45,51-54,56H,1,6,8-9,14-26,28-29H2,2-5,7H3/b11-10+,13-12+/t32-,33-,34+,36+,37+,38+,39?,40+,41-,42-,43?,44+,45-,47-,48+,49?,50-/m1/s1

InChIKey: InChIKey=ZYTGAFMIXFXZSG-RQNSKMADSA-N

Formula: C50H76O14

Molecular Weight: 901.131961

Exact Mass: 900.523507

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Suarez-Gomez, B., Souto, M.L., Cruz, P.G., Fernandez, J.J., Norte, M. J Nat Prod (2005) 68, 596-9

Species:

Notes: Family : Polyketides, Type : Polycyclic-ethers; 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 (C) 176.1
2 (C) 76
3 (CH2) 44
4 (CH) 68.4
5 (CH2) 32
6 (CH2) 26.5
7 (CH) 71.8
8 (C) 96.1
9 (CH) 121.8
10 (C) 139
11 (CH2) 32.9
12 (CH) 71.1
13 (CH) 42.2
14 (CH) 136
15 (CH) 131.3
16 (CH) 79.1
17 (CH2) 30.5
18 (CH2) 37.1
19 (C) 106
20 (CH2) 32.2
21 (CH2) 26.8
22 (CH) 69.9
23 (CH) 76.2
24 (CH) 71.2
25 (C) 144
26 (CH) 84.7
27 (CH) 64.4
28 (CH2) 35.1
29 (CH) 31.2
30 (CH) 75
31 (CH) 27.2
32 (CH2) 26.2
33 (CH2) 30.4
34 (C) 95.6
35 (CH2) 35.9
36 (CH2) 18.7
37 (CH2) 25.6
38 (CH2) 60.7
39 (CH3) 10.9
40 (CH3) 16.1
41 (CH2) 112.7
42 (CH3) 15.8
43 (CH3) 23
44 (CH3) 28.1
1a (CH2) 67.7
1b (C) 149.9
1c (CH) 130.3
1d (CH) 132.8
1e (CH2) 62.8
1ba (CH2) 115.7