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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C22H30O7/c1-8-12(4)21(26)28-15(10-9-11(2)3)13(5)16-17(24)20-22(7,29-20)19(25)18(16)27-14(6)23/h8-9,15-18,20,24H,5,10H2,1-4,6-7H3/b12-8-/t15?,16-,17-,18+,20+,22-/m0/s1

InChIKey: InChIKey=NTVBUJOKRXFMAK-SOQZNXRDSA-N

Formula: C22H30O7

Molecular Weight: 406.470247

Exact Mass: 406.199153

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) 71.4
2 (C) 200.3
3 (C) 61.4
4 (CH) 68.2
5 (CH) 73.7
6 (CH) 54
7 (C) 148.2
8 (CH) 78.4
9 (CH2) 31.8
10 (CH) 119.1
11 (C) 134.8
12 (CH3) 18
13 (CH3) 25.8
14 (CH2) 110.8
15 (CH3) 14.7
1a (C) 169.5
1b (CH3) 20.4
8a (C) 168.9
8b (C) 127.2
8c (CH) 140.6
8d (CH3) 15.9
8e (CH3) 20.4