(6alpha)-2beta-(Angeloyloxy)-4beta-[4-(angeloyloxy)-2,5-dihydroxy-1-methylene-5-methylhexyl]-1alpha-methyl-7-oxabicyclo[4.1.0]heptane-3beta-ol

(6alpha)-2beta-(Angeloyloxy)-4beta-[4-(angeloyloxy)-2,5-dihydroxy-1-methylene-5-methylhexyl]-1alpha-methyl-7-oxabicyclo[4.1.0]heptane-3beta-ol

Common Name: (6alpha)-2beta-(Angeloyloxy)-4beta-[4-(angeloyloxy)-2,5-dihydroxy-1-methylene-5-methylhexyl]-1alpha-methyl-7-oxabicyclo[4.1.0]heptane-3beta-ol

Synonyms: (6alpha)-2beta-(Angeloyloxy)-4beta-[4-(angeloyloxy)-2,5-dihydroxy-1-methylene-5-methylhexyl]-1alpha-methyl-7-oxabicyclo[4.1.0]heptane-3beta-ol

CAS Registry Number:

InChI: InChI=1S/C25H38O8/c1-9-13(3)22(28)31-18(24(6,7)30)12-17(26)15(5)16-11-19-25(8,33-19)21(20(16)27)32-23(29)14(4)10-2/h9-10,16-21,26-27,30H,5,11-12H2,1-4,6-8H3/b13-9-,14-10-/t16-,17?,18?,19-,20+,21+,25-/m1/s1

InChIKey: InChIKey=XNXMMOGHWCPTQZ-QMTJVUFESA-N

Formula: C25H38O8

Molecular Weight: 466.565385

Exact Mass: 466.256668

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Xu, F.Q., Liu, H.Y., Chen, C.X., Zhong, H.M. Chem Nat Compd (2008) 44, 308-10

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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) 71.1
2 (CH) 72.7
3 (C) 60.9
4 (CH) 61.5
5 (CH2) 25
6 (CH) 41.2
7 (C) 149.5
8 (CH) 69.9
9 (CH2) 35.5
10 (CH) 76.6
11 (C) 72.3
12 (CH3) 26.1
13 (CH3) 26
14 (CH2) 114.4
15 (CH3) 19.2
2a (C) 167.8
2b (C) 127.5
2c (CH) 139.5
2d (CH3) 16
2ba (CH3) 20.7
10a (C) 167.3
10b (C) 127.3
10c (CH) 139
10d (CH3) 15.9
10ba (CH3) 20.6