2b,9a,14a-Triacetoxy-3a-hydroxy-1(15),8(19)-trinervitadiene

2b,9a,14a-Triacetoxy-3a-hydroxy-1(15),8(19)-trinervitadiene

Common Name: 2b,9a,14a-Triacetoxy-3a-hydroxy-1(15),8(19)-trinervitadiene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H38O7/c1-13-8-9-20(31-16(4)27)14(2)19-10-11-26(7)23(19)15(3)22(21(12-13)32-17(5)28)24(25(26)30)33-18(6)29/h13,19-21,23-25,30H,2,8-12H2,1,3-7H3/t13-,19-,20+,21-,23+,24+,25-,26-/m0/s1

InChIKey: InChIKey=BEUNFZMOHHYNPI-QHCGCOPUSA-N

Formula: C26H38O7

Molecular Weight: 462.576716

Exact Mass: 462.261754

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Laurent, P., Daloze, D., Pasteels, J.M., Braekman, J.C. J Nat Prod (2005) 68, 532-6

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Trinervitanes; 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) 130
2 (CH) 77.4
3 (CH) 71.2
4 (C) 47.4
5 (CH2) 36.1
6 (CH2) 30.7
7 (CH) 52.1
8 (C) 151.7
9 (CH) 68.8
10 (CH2) 32.6
11 (CH2) 33
12 (CH) 25
13 (CH2) 37.6
14 (CH) 70.7
15 (C) 136.6
16 (CH) 57.3
17 (CH3) 22.4
18 (CH3) 20.3
19 (CH2) 118
20 (CH3) 23.7
2a (C) 172.7
2b (CH3) 21.6
9a (C) 170.7
9b (CH3) 21.4
14a (C) 170.3
14b (CH3) 20.9