Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C31H43NO7/c1-17-21(33)16-31(38)27(36)25-18(2)22(13-14-30(25,5)28(37)26(35)24(17)29(31,3)4)39-23(34)15-20(32(6)7)19-11-9-8-10-12-19/h8-12,20,22,25-28,35-38H,2,13-16H2,1,3-7H3/t20?,22-,25-,26+,27-,28-,30+,31+/m0/s1

InChIKey: InChIKey=BNMRQVVVXXWZTB-WYMYOTCWSA-N

Formula: C31H43N1O7

Molecular Weight: 541.676843

Exact Mass: 541.303953

NMR Solvent: c

MHz:

Calibration:

NMR references: 13C - Jenniskens, L.H.D., vanRozendaal, E.L.M., vanBeek, T.A., Wiegerinck, P.H.G., Scheeren, H.W. J Nat Prod (1996) 59, 117-23

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 (C) 77.8
2 (CH) 71.5
3 (CH) 46.6
4 (C) 144
5 (CH) 78
6 (CH2) 28.9
7 (CH2) 26.3
8 (C) 45
9 (CH) 77.1
10 (CH) 73.1
11 (C) 157.4
12 (C) 136.9
13 (C) 199.9
14 (CH2) 44.2
15 (C) 42.4
16 (CH3) 34.4
17 (CH3) 20.2
18 (CH3) 13.9
19 (CH3) 17.7
20 (CH2) 117.7
5a (C) 171.1
5b (CH2) 38.1
5c (CH) 66.1
5d (C) 138.4
5e (CH) 128.6
5f (CH) 128
5g (CH) 127.4
5h (CH) 128
5i (CH) 128.6
5ca (CH3) 42.1
5cb (CH3) 42.1