5-Hydroperoxy-7-hydroxy-2,4-bis(methylene)heptyl (2R)-2-hydroxy-3-[(2S,5R,6R,8S)-5-hydroxy-8-{(2R,3E)-4-[(2R,5R,6'S,8'R)-8'-hydroxy-6'-{(1S,3S)-1-hydroxy-3-[(3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2 -yl]butyl}-7'-methyleneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-3-buten-2-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoate

5-Hydroperoxy-7-hydroxy-2,4-bis(methylene)heptyl (2R)-2-hydroxy-3-[(2S,5R,6R,8S)-5-hydroxy-8-{(2R,3E)-4-[(2R,5R,6'S,8'R)-8'-hydroxy-6'-{(1S,3S)-1-hydroxy-3-[(3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2 -yl]butyl}-7'-methyleneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-3-buten-2-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoate

Common Name: 5-Hydroperoxy-7-hydroxy-2,4-bis(methylene)heptyl (2R)-2-hydroxy-3-[(2S,5R,6R,8S)-5-hydroxy-8-{(2R,3E)-4-[(2R,5R,6'S,8'R)-8'-hydroxy-6'-{(1S,3S)-1-hydroxy-3-[(3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2 -yl]butyl}-7'-methyleneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-3-buten-2-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C53H82O16/c1-31-26-43(66-53(28-31)44(56)14-13-39(65-53)29-50(8,59)49(58)61-30-32(2)25-35(5)41(69-60)18-23-54)33(3)11-12-38-16-21-52(64-38)22-17-42-48(68-52)45(57)37(7)47(63-42)40(55)27-36(6)46-34(4)15-20-51(67-46)19-9-10-24-62-51/h11-12,28,33-34,36,38-48,54-57,59-60H,2,5,7,9-10,13-27,29-30H2,1,3-4,6,8H3/b12-11+/t33-,34-,36+,38+,39+,40+,41?,42?,43+,44-,45-,46?,47+,48-,50-,51+,52?,53-/m1/s1

InChIKey: InChIKey=LZSACGSEJDYUGC-RNWUACFISA-N

Formula: C53H82O16

Molecular Weight: 975.210623

Exact Mass: 974.560287

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) 176.2
2 (C) 75.6
3 (CH2) 44
4 (CH) 68.6
5 (CH2) 31.7
6 (CH2) 26.4
7 (CH) 71.8
8 (C) 96.5
9 (CH) 121.8
10 (C) 138.8
11 (CH2) 33
12 (CH) 71
13 (CH) 42
14 (CH) 135.9
15 (CH) 131.1
16 (CH) 79.1
17 (CH2) 30.8
18 (CH2) 37.3
19 (C) 105.8
20 (CH2) 31.8
21 (CH2) 27.3
22 (CH) 69.8
23 (CH) 76.7
24 (CH) 71
25 (C) 144.5
26 (CH) 84.8
27 (CH) 64.6
28 (CH2) 35.1
29 (CH) 31.2
30 (CH) 75.1
31 (CH) 27.5
32 (CH2) 26.4
33 (CH2) 30.3
34 (C) 95.4
35 (CH2) 36
36 (CH2) 18.8
37 (CH2) 25.3
38 (CH2) 60.3
39 (CH3) 10.8
40 (CH3) 16.2
41 (CH2) 112.4
42 (CH3) 15.8
43 (CH3) 23.1
44 (CH3) 27.6
1a (CH2) 67
1b (C) 140.7
1c (CH2) 35.5
1d (C) 144.7
1e (CH) 85.9
1f (CH2) 34.5
1g (CH2) 60
1ba (CH2) 116
1da (CH2) 115