(5S,5aR,5bR,7aS,8R,10aS,11aR,11bR,13aR)-5-Hydroxy-8-(5-hydroxy-2-oxo-2,5-dihydro-3-furanyl)-1,1,5a,7a,11b-pentamethyldecahydrooxireno[4,4a]isochromeno[6,5-g][2]benzoxepine-3,10,12(1H,4H,10aH)-trione

(5S,5aR,5bR,7aS,8R,10aS,11aR,11bR,13aR)-5-Hydroxy-8-(5-hydroxy-2-oxo-2,5-dihydro-3-furanyl)-1,1,5a,7a,11b-pentamethyldecahydrooxireno[4,4a]isochromeno[6,5-g][2]benzoxepine-3,10,12(1H,4H,10aH)-trione

Common Name: (5S,5aR,5bR,7aS,8R,10aS,11aR,11bR,13aR)-5-Hydroxy-8-(5-hydroxy-2-oxo-2,5-dihydro-3-furanyl)-1,1,5a,7a,11b-pentamethyldecahydrooxireno[4,4a]isochromeno[6,5-g][2]benzoxepine-3,10,12(1H,4H,10aH)-trione

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H32O10/c1-22(2)13-9-15(28)25(5)12(24(13,4)14(27)10-17(30)35-22)6-7-23(3)18(11-8-16(29)33-20(11)31)34-21(32)19-26(23,25)36-19/h8,12-14,16,18-19,27,29H,6-7,9-10H2,1-5H3/t12-,13+,14+,16?,18+,19-,23+,24-,25+,26-/m1/s1

InChIKey: InChIKey=PHVHHFHIPAQRPP-APAIZZDASA-N

Formula: C26H32O10

Molecular Weight: 504.527287

Exact Mass: 504.199547

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Nakagawa, H., Takaishi, Y., Tanaka, N., Tsuchiya, K., Shibata, H., Higuti, T. J Nat Prod (2006) 69, 1177-9

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (CH) 70
2 (CH2) 40.1
3 (C) 174.3
4 (C) 86.3
5 (CH) 51.2
6 (CH2) 40.1
7 (C) 210.3
8 (C) 54
9 (CH) 45.5
10 (C) 46.1
11 (CH2) 18.1
12 (CH2) 30.9
13 (C) 39.3
14 (C) 67.1
15 (CH) 54.6
16 (C) 168.8
17 (CH) 77.1
18 (CH3) 20.3
19 (CH3) 16.9
20 (C) 133.8
21 (C) 172
22 (CH) 153.3
23 (CH) 99.1
28 (CH3) 33.7
29 (CH3) 23.6
30 (CH3) 17.3