9α,10β-(Dimethylmethylenedioxy)-2α-(methoxymethoxy)taxa-4(20),11-dien-5α,13β-diol

9α,10β-(Dimethylmethylenedioxy)-2α-(methoxymethoxy)taxa-4(20),11-dien-5α,13β-diol

Common Name: 9α,10β-(Dimethylmethylenedioxy)-2α-(methoxymethoxy)taxa-4(20),11-dien-5α,13β-diol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H40O6/c1-13-16(26)9-10-25(7)19(13)20(29-12-28-8)15-11-17(27)14(2)18(23(15,3)4)21-22(25)31-24(5,6)30-21/h15-17,19-22,26-27H,1,9-12H2,2-8H3/t15-,16-,17-,19-,20+,21+,22-,25+/m0/s1

InChIKey: InChIKey=UQTDGYJEYKJIQU-KNVWPYHMSA-N

Formula: C25H40O6

Molecular Weight: 436.582457

Exact Mass: 436.282489

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Zhang, S., Wang, J., Hirose, K., Ando, M. J Nat Prod (2002) 65, 1786-92

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) 46.46
2 (CH) 75.58
3 (CH) 41.2
4 (C) 145.84
5 (CH) 77.83
6 (CH2) 32.22
7 (CH2) 25.68
8 (C) 40.61
9 (CH) 82.53
10 (CH) 75.53
11 (C) 134.29
12 (C) 143.33
13 (CH) 68.62
14 (CH2) 31.29
15 (C) 37.45
16 (CH3) 32.9
17 (CH3) 24.8
18 (CH3) 17.31
19 (CH3) 17.68
20 (CH2) 115.85
1' (C) 106.81
2' (CH3) 27.22
3' (CH3) 26.93
2a (CH2) 95.33
2b (CH3) 56.4