Sagittines D

Sagittines D

Common Name: Sagittines D

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H42O6/c1-6-25(3)12-13-27(5)18(14-25)9-10-19-20(27)8-7-11-26(19,4)16-31-24-23(32-17(2)29)22(30)21(15-28)33-24/h6,10,18,20-24,28,30H,1,7-9,11-16H2,2-5H3/t18-,20-,21-,22-,23+,24+,25-,26+,27-/m0/s1

InChIKey: InChIKey=JRSFSLRWEYOFKG-WJSBELDJSA-N

Formula: C27H42O6

Molecular Weight: 462.61981

Exact Mass: 462.298139

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Liu, X.T., Pan, Q., Shi, Y., Williams, I.D., Sung, H.H., Zhang, Q., Liang, J.Y., Ip, N.Y., Min, Z.D. J Nat Prod (2006) 69, 255-60

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Rosanes; 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 (CH2) 25.9
2 (CH2) 21.2
3 (CH2) 35
4 (C) 39.9
5 (C) 141.2
6 (CH) 120.7
7 (CH2) 30.3
8 (CH) 36
9 (C) 34.8
10 (CH) 47.7
11 (CH2) 34
12 (CH2) 32.3
13 (C) 36.2
14 (CH2) 39
15 (CH) 151.3
16 (CH2) 108.6
17 (CH3) 22.2
18 (CH3) 24.8
19 (CH2) 73.8
20 (CH3) 12.1
1' (CH) 106
2' (CH) 85.8
3' (CH) 76.3
4' (CH) 84
5' (CH2) 61.8
2'a (C) 171.1
2'b (CH3) 20.7