2-[[(5S)-9-Hydroxy-3,5-dimethyl-5,6,7,8-tetrahydronaphtho[2,3-b]furan-4-yl]methyl]-3,5-dimethyl-6-[(E)-3-pentenyl]benzofuran-4,7-dione

2-[[(5S)-9-Hydroxy-3,5-dimethyl-5,6,7,8-tetrahydronaphtho[2,3-b]furan-4-yl]methyl]-3,5-dimethyl-6-[(E)-3-pentenyl]benzofuran-4,7-dione

Common Name: 2-[[(5S)-9-Hydroxy-3,5-dimethyl-5,6,7,8-tetrahydronaphtho[2,3-b]furan-4-yl]methyl]-3,5-dimethyl-6-[(E)-3-pentenyl]benzofuran-4,7-dione

Synonyms: 2-[[(5S)-9-Hydroxy-3,5-dimethyl-5,6,7,8-tetrahydronaphtho[2,3-b]furan-4-yl]methyl]-3,5-dimethyl-6-[(E)-3-pentenyl]benzofuran-4,7-dione

CAS Registry Number:

InChI: InChI=1S/C30H32O5/c1-6-7-8-11-19-17(4)26(31)25-18(5)22(35-30(25)27(19)32)13-21-23-15(2)10-9-12-20(23)28(33)29-24(21)16(3)14-34-29/h6-7,14-15,33H,8-13H2,1-5H3/b7-6+/t15-/m0/s1

InChIKey: InChIKey=NYALJMJYPVDKLK-LFAOLKIESA-N

Formula: C30H32O5

Molecular Weight: 472.573206

Exact Mass: 472.224974

NMR Solvent: CD3COCD3

MHz:

Calibration:

NMR references: 13C - Sun, X.B., Xu, Y.J., Qiu, D.F., Yuan, C.S. Helv Chim Acta (2007) 90, 1705-11

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cacalols; 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 (CH2) 23.44
2 (CH2) 17.12
3 (CH2) 30.45
4 (CH) 29.26
5 (C) 137.48
6 (C) 116.97
7 (C) 127.97
8 (C) 144.05
9 (C) 139.63
10 (C) 120.25
11 (C) 117.23
12 (CH) 142.55
13 (CH3) 10.61
14 (CH2) 26.12
15 (CH3) 20.2
1' (CH2) 26.89
2' (CH2) 32.18
3' (CH) 130.98
4' (CH) 126.35
5' (C) 141.31
6' (C) 185.35
7' (C) 128.37
8' (C) 150.17
9' (C) 175.33
10' (C) 143.57
11' (C) 115.97
12' (C) 158
13' (CH3) 8.4
14' (CH3) 12.06
15' (CH3) 17.89