Amoenolide M diacetate

Amoenolide M diacetate

Common Name: Amoenolide M diacetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C33H40O9/c1-20-16-27(42-22(3)35)31-26(32(20,4)15-14-24-17-30(38)39-18-24)11-12-28(36)33(31,5)19-40-29(37)13-8-23-6-9-25(10-7-23)41-21(2)34/h6-7,9-10,17,20,27H,8,11-16,18-19H2,1-5H3/t20-,27-,32+,33-/m0/s1

InChIKey: InChIKey=VSLIBQZNWUVLGN-XOZPCBTFSA-N

Formula: C33H40O9

Molecular Weight: 580.666559

Exact Mass: 580.267233

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Pcolinski, M.J., O'Mathuna, D.P., Doskotch, R.W. J Nat Prod (1995) 58, 209-16

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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) 24.58
2 (CH2) 36.84
3 (C) 211.04
4 (C) 51.11
5 (C) 132.09
6 (CH) 70.46
7 (CH2) 33.16
8 (CH) 30.94
9 (C) 42.04
10 (C) 144.09
11 (CH2) 34.1
12 (CH2) 23.61
13 (C) 170.21
14 (CH) 115.68
15 (C) 173.68
16 (CH2) 72.94
17 (CH3) 16.07
18 (CH3) 22.51
19 (CH2) 66.42
20 (CH3) 20.68
6a (C) 169.71
6b (CH3) 21.8
19a (C) 172.05
19b (CH2) 36.17
19c (CH2) 30.36
19d (C) 138.19
19e (CH) 129.29
19f (CH) 121.98
19g (C) 149.47
19h (CH) 121.98
19i (CH) 129.29
19ga (C) 169.66
19gb (CH3) 21.28