9a- Hydroxy-14b-(2-methylbutyryl)oxy-2a,5a,10b-triacetoxytaxa-4(20),11-diene

9a- Hydroxy-14b-(2-methylbutyryl)oxy-2a,5a,10b-triacetoxytaxa-4(20),11-diene

Common Name: 9a- Hydroxy-14b-(2-methylbutyryl)oxy-2a,5a,10b-triacetoxytaxa-4(20),11-diene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C31H46O9/c1-11-15(2)29(36)40-22-14-16(3)23-27(39-20(7)34)28(35)31(10)13-12-21(37-18(5)32)17(4)24(31)26(38-19(6)33)25(22)30(23,8)9/h15,21-22,24-28,35H,4,11-14H2,1-3,5-10H3/t15?,21-,22-,24-,25-,26-,27+,28-,31+/m0/s1

InChIKey: InChIKey=JQIOGFDAUPKVOL-SJQXLRRASA-N

Formula: C31H46O9

Molecular Weight: 562.692732

Exact Mass: 562.314183

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Yang, S.J., Fang, J.M., Cheng, Y.S. Phytochemistry (1996) 43, 839-42

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) 59
2 (CH) 70
3 (CH) 44.1
4 (C) 141.8
5 (CH) 78.6
6 (CH2) 28.5
7 (CH2) 25.8
8 (C) 44.8
9 (CH) 76.2
10 (CH) 76
11 (C) 133.2
12 (C) 137
13 (CH2) 39.7
14 (CH) 69.9
15 (C) 36.8
16 (CH3) 26.2
17 (CH3) 31.5
18 (CH3) 21
19 (CH3) 22.4
20 (CH2) 117.5
14a (C) 175.6
14b (CH) 41
14c (CH2) 26.7
14d (CH3) 11.5
14ba (CH3) 13.9