(2R,6R,7R,10S,12R,13S,14S)-13,14-Dihydroxy-4,4,7,17,18,18-hexamethyl-11-methylene-16-oxo-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-10-yl (2E)-3-phenylacrylate

(2R,6R,7R,10S,12R,13S,14S)-13,14-Dihydroxy-4,4,7,17,18,18-hexamethyl-11-methylene-16-oxo-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-10-yl (2E)-3-phenylacrylate

Common Name: (2R,6R,7R,10S,12R,13S,14S)-13,14-Dihydroxy-4,4,7,17,18,18-hexamethyl-11-methylene-16-oxo-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-10-yl (2E)-3-phenylacrylate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H40O7/c1-18-21(33)17-32(36)27(35)25-19(2)22(37-23(34)14-13-20-11-9-8-10-12-20)15-16-31(25,7)28-26(24(18)29(32,3)4)38-30(5,6)39-28/h8-14,22,25-28,35-36H,2,15-17H2,1,3-7H3/b14-13+/t22-,25-,26+,27-,28-,31+,32+/m0/s1

InChIKey: InChIKey=PZEHXFSZARJMOD-SWKDVZEQSA-N

Formula: C32H40O7

Molecular Weight: 536.657013

Exact Mass: 536.277404

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Jenniskens, L.H.D., vanRozendaal, E.L.M., vanBeek, T.A., Wiegerinck, P.H.G., Scheeren, H.W. J Nat Prod (1996) 59, 117-23

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Taxanes; 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 (C) 79
2 (CH) 71.7
3 (CH) 45.3
4 (C) 143.1
5 (CH) 78.3
6 (CH2) 28.9
7 (CH2) 26.8
8 (C) 42.8
9 (CH) 81.7
10 (CH) 75.6
11 (C) 154.8
12 (C) 139.8
13 (C) 199.6
14 (CH2) 44.3
15 (C) 41.2
16 (CH3) 34.5
17 (CH3) 19.9
18 (CH3) 14.1
19 (CH3) 17.4
20 (CH2) 117.5
5a (C) 166.3
5b (CH) 117.6
5c (CH) 145.8
5d (C) 134.4
5e (CH) 128.9
5f (CH) 128.4
5g (CH) 130.4
5h (CH) 128.4
5i (CH) 128.9
9a (C) 108.3
9b (CH3) 26.8
9c (CH3) 27.2