(5S)-5,6,7,7a,7b,12b-Hexahydro-3,4,5,11,12b-pentamethyl-10-[(3E)-pent-3-en-1-yl]-furo[3’’,2’’: 6’,7’]-naphtho[1’,8’: 4,5,6]pyrano[3,2-b]benzofuran-9-ol

(5S)-5,6,7,7a,7b,12b-Hexahydro-3,4,5,11,12b-pentamethyl-10-[(3E)-pent-3-en-1-yl]-furo[3’’,2’’: 6’,7’]-naphtho[1’,8’: 4,5,6]pyrano[3,2-b]benzofuran-9-ol

Common Name: (5S)-5,6,7,7a,7b,12b-Hexahydro-3,4,5,11,12b-pentamethyl-10-[(3E)-pent-3-en-1-yl]-furo[3’’,2’’: 6’,7’]-naphtho[1’,8’: 4,5,6]pyrano[3,2-b]benzofuran-9-ol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H34O4/c1-7-8-9-10-19-16(3)13-21-26(25(19)31)33-29-20-12-11-15(2)22-18(5)23-17(4)14-32-27(23)28(24(20)22)34-30(21,29)6/h7-8,13-15,20,29,31H,9-12H2,1-6H3/b8-7+/t15-,20?,29?,30?/m0/s1

InChIKey: InChIKey=OEYXLQXIEJJIDW-NEEUHDJCSA-N

Formula: C30H34O4

Molecular Weight: 458.589682

Exact Mass: 458.24571

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 (CH) 30.42
2 (CH2) 20.64
3 (CH2) 28.34
4 (CH) 29.01
5 (C) 135.79
6 (C) 121.16
7 (C) 126.94
8 (C) 143.51
9 (C) 138.29
10 (C) 118.98
11 (C) 116.78
12 (CH) 141.46
13 (CH3) 10.52
14 (CH3) 13.17
15 (CH3) 19.3
1' (CH2) 26.89
2' (CH2) 31.87
3' (CH) 131.46
4' (CH) 124.59
5' (C) 129.06
6' (CH) 115.68
7' (C) 127.73
8' (C) 146.27
9' (C) 138.42
10' (C) 125.79
11' (C) 86.5
12' (CH) 95.31
13' (CH3) 25.34
14' (CH3) 18.86
15' (CH3) 17.28