11β-Hydroxyerythroxydiol-1β,15,16-triacetate

11β-Hydroxyerythroxydiol-1β,15,16-triacetate

Common Name: 11β-Hydroxyerythroxydiol-1β,15,16-triacetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H40O7/c1-15(27)31-13-21(33-17(3)29)23(4)11-18-7-10-26-14-24(26,5)9-8-19(32-16(2)28)22(26)25(18,6)20(30)12-23/h18-22,30H,7-14H2,1-6H3/t18-,19-,20+,21?,22+,23+,24-,25+,26-/m0/s1

InChIKey: InChIKey=XRPXMWTYVZMGEI-KJXWOXKUSA-N

Formula: C26H40O7

Molecular Weight: 464.592598

Exact Mass: 464.277404

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ansell, S.M., Pegel, K.H., Taylor, D.A.H. Phytochemistry (1993) 32, 937-43

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Devadaranes; 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) 68.1
2 (CH2) 28.9
3 (CH2) 29.7
4 (C) 17
5 (C) 23.7
6 (CH2) 34.7
7 (CH2) 28.1
8 (CH) 42
9 (C) 44.6
10 (CH) 53.2
11 (CH) 73.3
12 (CH2) 38.5
13 (C) 37.5
14 (CH2) 35.6
15 (CH) 78.7
16 (CH2) 62.9
17 (CH3) 20.1
18 (CH3) 22.3
19 (CH2) 27.7
20 (CH3) 8.4
1a (C) 170.6
1b (CH3) 20.8
15a (C) 170.8
15b (CH3) 20.8
16a (C) 170.1
16b (CH3) 21.4