ent-9,8-Seco-7α-acetoxykaura-8(14),16-dien-9,15-dione

ent-9,8-Seco-7α-acetoxykaura-8(14),16-dien-9,15-dione

Common Name: ent-9,8-Seco-7α-acetoxykaura-8(14),16-dien-9,15-dione

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H30O4/c1-13-15-7-8-19(24)22(5)10-6-9-21(3,4)18(22)12-17(26-14(2)23)16(11-15)20(13)25/h11,15,17-18H,1,6-10,12H2,2-5H3/t15-,17+,18+,22+/m0/s1

InChIKey: InChIKey=HTNGGVARAVBBLP-VXCZRNDOSA-N

Formula: C22H30O4

Molecular Weight: 358.472032

Exact Mass: 358.214409

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Perry, N.B., Burgess, E.J., Baek, S.H., Weavers, R.T., Geis, W., Mauer, A.B. Phytochemistry (1999) 50, 423-33

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) 34.1
2 (CH2) 18.1
3 (CH2) 41.3
4 (C) 34.7
5 (CH) 43.2
6 (CH2) 33.1
7 (CH) 67
8 (C) 144.9
9 (C) 215.4
10 (C) 53.9
11 (CH2) 30.9
12 (CH2) 25.9
13 (CH) 42.5
14 (CH) 159.8
15 (C) 194.2
16 (C) 145.6
17 (CH2) 117.2
18 (CH3) 33.5
19 (CH3) 22.4
20 (CH3) 16.6
7a (C) 169.9
7b (CH3) 21.1