(2α)-6,11,12,14,16-Pentahydroxy-7-oxoabieta-5,8,11,13-tetraene-2,17-diyl diacetate

(2α)-6,11,12,14,16-Pentahydroxy-7-oxoabieta-5,8,11,13-tetraene-2,17-diyl diacetate

Common Name: (2α)-6,11,12,14,16-Pentahydroxy-7-oxoabieta-5,8,11,13-tetraene-2,17-diyl diacetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H30O10/c1-10(26)33-9-12(8-25)14-17(28)15-16(20(31)18(14)29)24(5)7-13(34-11(2)27)6-23(3,4)22(24)21(32)19(15)30/h12-13,25,28-29,31-32H,6-9H2,1-5H3/t12?,13-,24+/m0/s1

InChIKey: InChIKey=BLLJRCSMXYBSCC-KBGAIRENSA-N

Formula: C24H30O10

Molecular Weight: 478.489933

Exact Mass: 478.183897

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ragas, C.Y., Templora, V.F., Rideout, J.A. Chem Pharm Bull (2001) 49, 927-9

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) 34.07
2 (CH) 68.2
3 (CH2) 42.4
4 (C) 35.9
5 (C) 142.1
6 (C) 141
7 (C) 182.7
8 (C) 105.4
9 (C) 133.5
10 (C) 40.4
11 (C) 135.8
12 (C) 150.5
13 (C) 109.8
14 (C) 152.3
15 (CH) 36.57
16 (CH2) 61.3
17 (CH2) 61.62
18 (CH3) 28.5
19 (CH3) 29.5
20 (CH3) 24.69
2a (C) 170.7
2b (CH3) 21
17a (C) 173.8
17b (CH3) 21.4