ent-3b-Acetoxy-7a,17,18-trihydroxykaur-15-ene

ent-3b-Acetoxy-7a,17,18-trihydroxykaur-15-ene

Common Name: ent-3b-Acetoxy-7a,17,18-trihydroxykaur-15-ene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H34O5/c1-13(25)27-19-6-7-20(2)16-5-4-14-9-22(16,10-15(14)11-23)18(26)8-17(20)21(19,3)12-24/h10,14,16-19,23-24,26H,4-9,11-12H2,1-3H3/t14-,16+,17+,18+,19-,20+,21-,22-/m1/s1

InChIKey: InChIKey=SDJVWZZBAQETFJ-YYOUGLFJSA-N

Formula: C22H34O5

Molecular Weight: 378.5032

Exact Mass: 378.240624

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) 23.4
3 (CH) 74.8
4 (C) 41.8
5 (CH) 37.1
6 (CH2) 26.1
7 (CH) 74.7
8 (C) 53.1
9 (CH) 43.5
10 (C) 39
11 (CH2) 18.6
12 (CH2) 25.6
13 (CH) 41.3
14 (CH2) 42.1
15 (CH) 130
16 (C) 147.7
17 (CH2) 61.3
18 (CH2) 64
19 (CH3) 12.8
20 (CH3) 18.1
3a (C) 171.8
3b (CH3) 21.3