6b-Acetoxy-1-one-8b,14a-dihydroxy-ent-abieta-2(3),13(15)-diene-16,12-olide

6b-Acetoxy-1-one-8b,14a-dihydroxy-ent-abieta-2(3),13(15)-diene-16,12-olide

Common Name: 6b-Acetoxy-1-one-8b,14a-dihydroxy-ent-abieta-2(3),13(15)-diene-16,12-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H28O7/c1-10-16-12(29-19(10)26)8-14-21(5)15(24)6-7-20(3,4)17(21)13(28-11(2)23)9-22(14,27)18(16)25/h6-7,12-14,17-18,25,27H,8-9H2,1-5H3/t12-,13-,14+,17-,18+,21-,22+/m1/s1

InChIKey: InChIKey=GNFYFCGNBJAWLR-SHZRBOCQSA-N

Formula: C22H28O7

Molecular Weight: 404.454365

Exact Mass: 404.183503

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Lee, C.L., Chang, F.R., Hsieh, P.W., Chiang, M.Y., Wu, C.C., Huang, Z.Y., Lan, Y.H., Chen, M., Lee, K.H., Yen, H.F., Hung, W.C., Wu, Y.C. Phytochemistry (2008) 69, 276-87

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 (C) 204.8
2 (CH) 122.9
3 (CH) 156.3
4 (C) 36.9
5 (CH) 52.7
6 (CH) 71.2
7 (CH2) 47.9
8 (C) 75.3
9 (CH) 46.4
10 (C) 49.7
11 (CH2) 32.4
12 (CH) 77.6
13 (C) 164.2
14 (CH) 72
15 (C) 121.8
16 (C) 175.1
17 (CH3) 8.5
18 (CH3) 34
19 (CH3) 21.8
20 (CH3) 19
6a (C) 170
6b (CH3) 21.6