(1R,2S,3E,5S,7S,8S,10R,13S)-8,12,15,15-Tetramethyl-9-oxotricyclo[9.3.1.14,8]hexadeca-3,11-diene-2,5,7,10,13-pentayl pentaacetate

(1R,2S,3E,5S,7S,8S,10R,13S)-8,12,15,15-Tetramethyl-9-oxotricyclo[9.3.1.14,8]hexadeca-3,11-diene-2,5,7,10,13-pentayl pentaacetate

Common Name: (1R,2S,3E,5S,7S,8S,10R,13S)-8,12,15,15-Tetramethyl-9-oxotricyclo[9.3.1.14,8]hexadeca-3,11-diene-2,5,7,10,13-pentayl pentaacetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H40O11/c1-14-22(37-15(2)31)11-21-24(39-17(4)33)10-20-13-30(9,25(40-18(5)34)12-23(20)38-16(3)32)28(36)27(41-19(6)35)26(14)29(21,7)8/h10,21-25,27H,11-13H2,1-9H3/b20-10+/t21-,22-,23-,24-,25-,27+,30-/m0/s1

InChIKey: InChIKey=XMDHIHGBHFVDPF-LXOVCLPSSA-N

Formula: C30H40O11

Molecular Weight: 576.633161

Exact Mass: 576.257062

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Shi, Q.W., Oritani, T., Sugiyama, T. Phytochemistry (1999) 52, 1559-63

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 (CH) 46.5
2 (CH) 76.92
3 (CH2) 37.5
4 (C) 132.92
5 (CH) 69
6 (CH2) 35.09
7 (CH) 70.1
8 (C) 52.75
9 (C) 205.5
10 (CH) 77.57
11 (C) 138.75
12 (C) 133.15
13 (CH) 69.69
14 (CH2) 29.32
15 (C) 32
16 (CH3) 31.28
17 (CH3) 24.67
18 (CH3) 16.52
19 (CH3) 26.8
20 (CH) 123.55
2a (C) 170.3
2b (CH3) 21.1
5a (C) 170.06
5b (CH3) 20.41
7a (C) 169.36
7b (CH3) 20.01
10a (C) 170.23
10b (CH3) 21.12
13a (C) 169.71
13b (CH3) 20.98