5α,10β,14β-Trihydroxy-2α-4(20),11-taxadiene

5α,10β,14β-Trihydroxy-2α-4(20),11-taxadiene

Common Name: 5α,10β,14β-Trihydroxy-2α-4(20),11-taxadiene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H34O5/c1-11-9-15(25)19-20(27-13(3)23)18-12(2)14(24)7-8-22(18,6)10-16(26)17(11)21(19,4)5/h14-16,18-20,24-26H,2,7-10H2,1,3-6H3/t14-,15-,16-,18-,19-,20-,22-/m0/s1

InChIKey: InChIKey=HCGFDDIDDXJVGM-YIJNTCITSA-N

Formula: C22H34O5

Molecular Weight: 378.5032

Exact Mass: 378.240624

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Hu, S.H., Tian, X.F., Zhu, W.H., Fang, Q.C. J Nat Prod (1996) 59, 1006-9

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) 63.51
2 (CH) 71.75
3 (CH) 39.92
4 (C) 148.2
5 (CH) 76.5
6 (CH2) 31.17
7 (CH2) 33.11
8 (C) 40.04
9 (CH2) 47.06
10 (CH) 67.58
11 (C) 137.86
12 (C) 134.2
13 (CH2) 42.27
14 (CH) 68
15 (C) 37.96
16 (CH3) 25.7
17 (CH3) 31.94
18 (CH3) 21.1
19 (CH3) 22.23
20 (CH2) 113.3
2a (C) 169.74
2b (CH3) 21.58