(1R,6alpha)-1alpha-Methyl-3alpha,5alpha-diacetoxy-4beta-[1-methylene-2-(angeloyloxy)-5-methyl-4-hexenyl]-7-oxabicyclo[4.1.0]heptane-2-one

(1R,6alpha)-1alpha-Methyl-3alpha,5alpha-diacetoxy-4beta-[1-methylene-2-(angeloyloxy)-5-methyl-4-hexenyl]-7-oxabicyclo[4.1.0]heptane-2-one

Common Name: (1R,6alpha)-1alpha-Methyl-3alpha,5alpha-diacetoxy-4beta-[1-methylene-2-(angeloyloxy)-5-methyl-4-hexenyl]-7-oxabicyclo[4.1.0]heptane-2-one

Synonyms: (1R,6alpha)-1alpha-Methyl-3alpha,5alpha-diacetoxy-4beta-[1-methylene-2-(angeloyloxy)-5-methyl-4-hexenyl]-7-oxabicyclo[4.1.0]heptane-2-one

CAS Registry Number:

InChI: InChI=1S/C24H32O8/c1-9-13(4)23(28)31-17(11-10-12(2)3)14(5)18-19(29-15(6)25)21(27)24(8)22(32-24)20(18)30-16(7)26/h9-10,17-20,22H,5,11H2,1-4,6-8H3/b13-9-/t17?,18-,19-,20+,22-,24+/m1/s1

InChIKey: InChIKey=ZCWNIRCWJUACBO-JREQMXANSA-N

Formula: C24H32O8

Molecular Weight: 448.507005

Exact Mass: 448.209718

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Yaoita, Y., Suzuki, N., Kikuchi, M. Chem Pharm Bull (2001) 49, 645-8

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) 72.5
2 (C) 199.5
3 (C) 61.4
4 (CH) 65.7
5 (CH) 72.6
6 (CH) 48.5
7 (C) 145.8
8 (CH) 74.9
9 (CH2) 31.9
10 (CH) 119
11 (C) 134.5
12 (CH3) 18
13 (CH3) 25.7
14 (CH2) 114.1
15 (CH3) 14.4
1a (C) 169.5
1b (CH3) 20.3
5a (C) 170
5b (CH3) 20.8
8a (C) 166.5
8b (C) 127.8
8c (CH) 138.5
8d (CH3) 15.7
8ba (CH3) 20.6