(4Z)-7-(Hydroxymethyl)-2-methylene-4,7-octadien-1-yl (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]und ec-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

(4Z)-7-(Hydroxymethyl)-2-methylene-4,7-octadien-1-yl (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]und ec-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: (4Z)-7-(Hydroxymethyl)-2-methylene-4,7-octadien-1-yl (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]und ec-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/C54H82O14/c1-33(31-55)13-9-10-14-34(2)32-61-50(59)51(8,60)30-41-17-18-45(57)54(65-41)29-35(3)27-44(66-54)36(4)15-16-40-20-24-53(64-40)25-21-43-49(68-53)46(58)39(7)48(63-43)42(56)28-38(6)47-37(5)19-23-52(67-47)22-11-12-26-62-52/h9-10,15-16,29,36-38,40-49,55-58,60H,1-2,7,11-14,17-28,30-32H2,3-6,8H3/b10-9-,16-15+/t36-,37-,38+,40+,41+,42+,43?,44+,45-,46-,47?,48+,49-,51-,52+,53?,54-/m1/s1

InChIKey: InChIKey=BHFNXFGVIHTWDA-AYEOXMBRSA-N

Formula: C54H82O14

Molecular Weight: 955.222549

Exact Mass: 954.570457

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) 176.3
2 (C) 75.8
3 (CH2) 44.2
4 (CH) 68.7
5 (CH2) 32
6 (CH2) 27.7
7 (CH) 72
8 (C) 71.6
9 (CH) 122.3
10 (C) 138.7
11 (CH2) 33.3
12 (CH) 71.2
13 (CH) 42.3
14 (CH) 135.7
15 (CH) 131.3
16 (CH) 79.5
17 (CH2) 31
18 (CH2) 37.3
19 (C) 106
20 (CH2) 30
21 (CH2) 28
22 (CH) 70.3
23 (CH) 77.4
24 (CH) 71.3
25 (C) 143.9
26 (CH) 85.3
27 (CH) 66.3
28 (CH2) 35.5
29 (CH) 31.5
30 (CH) 75.2
31 (CH) 28
32 (CH2) 27
33 (CH2) 31
34 (C) 96.3
35 (CH2) 36.2
36 (CH2) 19
37 (CH2) 25.3
38 (CH2) 60.7
39 (CH3) 11
40 (CH3) 16.5
41 (CH2) 112.7
42 (CH3) 16.2
43 (CH3) 23.2
44 (CH3) 27.8
1a (CH2) 67.5
1b (C) 142.4
1c (CH2) 31.3
1d (CH) 128
1e (CH) 129.2
1f (CH2) 31.3
1g (C) 147.9
1h (CH2) 64.8
1ba (CH2) 113.7
1ga (CH2) 110.7