6Hα-11,12,16-Trihydroxy-6,7-secoabieta-8,11,13-triene-6,7-dial 11,6-hemiacetal

6Hα-11,12,16-Trihydroxy-6,7-secoabieta-8,11,13-triene-6,7-dial 11,6-hemiacetal

Common Name: 6Hα-11,12,16-Trihydroxy-6,7-secoabieta-8,11,13-triene-6,7-dial 11,6-hemiacetal

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H28O5/c1-11(9-21)13-8-12(10-22)14-16(15(13)23)25-18(24)17-19(2,3)6-5-7-20(14,17)4/h8,10-11,17-18,21,23-24H,5-7,9H2,1-4H3/t11?,17-,18+,20+/m0/s1

InChIKey: InChIKey=QLBZPDVFKWUPIZ-RHXPWNHWSA-N

Formula: C20H28O5

Molecular Weight: 348.434084

Exact Mass: 348.193674

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Han, L., Huang, X., Dahse, H.M., Moellmann, U., Grabley, S., Lin, W., Sattler, I. Planta Med (2008) 74, 432-7

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) 43.7
2 (CH2) 19.6
3 (CH2) 42.2
4 (C) 33.3
5 (CH) 53.2
6 (CH) 92.5
7 (CH) 191.4
8 (C) 127.3
9 (C) 134.4
10 (C) 36.1
11 (C) 137.4
12 (C) 148.3
13 (C) 127
14 (CH) 123.9
15 (CH) 35.6
16 (CH2) 67.5
17 (CH3) 16.1
18 (CH3) 33.1
19 (CH3) 23.1
20 (CH3) 23.1