ent-3b-Acetoxy-7a,17,18-dihydroxy-15b,16b-epoxykaurane

ent-3b-Acetoxy-7a,17,18-dihydroxy-15b,16b-epoxykaurane

Common Name: ent-3b-Acetoxy-7a,17,18-dihydroxy-15b,16b-epoxykaurane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H34O6/c1-12(25)27-17-6-7-19(2)14-5-4-13-9-21(14,18-22(13,11-24)28-18)16(26)8-15(19)20(17,3)10-23/h13-18,23-24,26H,4-11H2,1-3H3/t13-,14+,15+,16+,17-,18-,19+,20-,21-,22+/m1/s1

InChIKey: InChIKey=QQJZBNLXXCQLKO-GYKVFSFBSA-N

Formula: C22H34O6

Molecular Weight: 394.502605

Exact Mass: 394.235539

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ghoumari, H., Benajiba, M.H., Azmani, A., Garcia-Granados, A., Martinez, A., Parra, A., Rivas, F., Socorro, O. Phytochemistry (2005) 66, 1492-8

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) 38.3
2 (CH2) 23.3
3 (CH) 74.5
4 (C) 41.8
5 (CH) 37.1
6 (CH2) 26.1
7 (CH) 71.5
8 (C) 47.4
9 (CH) 45.2
10 (C) 38.6
11 (CH2) 17.9
12 (CH2) 27.1
13 (CH) 35.8
14 (CH2) 30.9
15 (CH) 61.2
16 (C) 65.9
17 (CH2) 58.9
18 (CH2) 64
19 (CH3) 12.8
20 (CH3) 17.9
3a (C) 171.9
3b (CH3) 21.3