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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H38O6/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/h15-16,19-22,26H,1,9-12H2,2-8H3/t15-,16-,19-,20+,21+,22-,25+/m0/s1

InChIKey: InChIKey=UKGREYHRJOGBKE-NTXRAFTPSA-N

Formula: C25H38O6

Molecular Weight: 434.566576

Exact Mass: 434.266839

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) 47.7
2 (CH) 74.79
3 (CH) 40.48
4 (C) 147.67
5 (CH) 77.26
6 (CH2) 29.67
7 (CH2) 25.55
8 (C) 40.54
9 (CH) 82.4
10 (CH) 75.87
11 (C) 151.42
12 (C) 138.41
13 (C) 200.22
14 (CH2) 36.32
15 (C) 38.41
16 (CH3) 37.56
17 (CH3) 24.35
18 (CH3) 14.27
19 (CH3) 17.55
20 (CH2) 115.07
1' (C) 107.84
2' (CH3) 27.1
3' (CH3) 26.8
2a (CH2) 95.58
2b (CH3) 56.41