13α-Acetoxy-9α,10β-(dimethylmethylenedioxy)-2α-(methoxymethoxy)taxa-4(20),11-diene-5α-ol

13α-Acetoxy-9α,10β-(dimethylmethylenedioxy)-2α-(methoxymethoxy)taxa-4(20),11-diene-5α-ol

Common Name: 13α-Acetoxy-9α,10β-(dimethylmethylenedioxy)-2α-(methoxymethoxy)taxa-4(20),11-diene-5α-ol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H42O7/c1-14-18(29)10-11-27(8)21(14)22(31-13-30-9)17-12-19(32-16(3)28)15(2)20(25(17,4)5)23-24(27)34-26(6,7)33-23/h17-19,21-24,29H,1,10-13H2,2-9H3/t17-,18-,19-,21-,22+,23+,24-,27+/m0/s1

InChIKey: InChIKey=GDVNZMXTWBJCOG-LTVHRLMSSA-N

Formula: C27H42O7

Molecular Weight: 478.619215

Exact Mass: 478.293054

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) 46.68
2 (CH) 76.04
3 (CH) 40.93
4 (C) 147.6
5 (CH) 77.83
6 (CH2) 29.5
7 (CH2) 25.45
8 (C) 40.63
9 (CH) 82.38
10 (CH) 75.05
11 (C) 135.71
12 (C) 138.59
13 (CH) 70.46
14 (CH2) 28.83
15 (C) 37.67
16 (CH3) 32.68
17 (CH3) 25.02
18 (CH3) 16.49
19 (CH3) 17.82
20 (CH2) 116.13
1' (C) 107.01
2' (CH3) 27.24
3' (CH3) 26.91
2a (CH2) 95.53
2b (CH3) 56.4
13a (C) 169.97
13b (CH3) 21.02