15-epi-sibiricinone E

15-epi-sibiricinone E

Common Name: 15-epi-sibiricinone E

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H34O5/c1-13-15(22)16(23)17-18(2,3)7-6-8-19(17,4)21(13)10-9-20(26-21)11-14(24-5)25-12-20/h13-14,16-17,23H,6-12H2,1-5H3/t13-,14-,16-,17+,19+,20+,21-/m1/s1

InChIKey: InChIKey=NZPBUNQOXRUEEE-QDGXGCKJSA-N

Formula: C21H34O5

Molecular Weight: 366.492464

Exact Mass: 366.240624

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Boalino, D.M., McLean, S., Reynolds, W.F., Tinto, W.F. J Nat Prod (2004) 67, 714-7

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 33.5
2 (CH2) 18.8
3 (CH2) 43.7
4 (C) 35
5 (CH) 50.1
6 (CH) 76
7 (C) 209.8
8 (CH) 45.7
9 (C) 96.1
10 (C) 43.1
11 (CH2) 29.8
12 (CH2) 39.6
13 (C) 90
14 (CH2) 46.2
15 (CH) 104.4
16 (CH2) 74.4
17 (CH3) 9.2
18 (CH3) 32.7
19 (CH3) 24.7
20 (CH3) 19.9
15a (CH3) 54.9