ent-(16S)-1a,14a-Diacetoxy-7b-hydroxy-17-methoxykauran-15-one

ent-(16S)-1a,14a-Diacetoxy-7b-hydroxy-17-methoxykauran-15-one

Common Name: ent-(16S)-1a,14a-Diacetoxy-7b-hydroxy-17-methoxykauran-15-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H38O7/c1-13(26)31-20-9-10-23(3,4)18-11-19(28)25-17(24(18,20)5)8-7-15(22(25)32-14(2)27)16(12-30-6)21(25)29/h15-20,22,28H,7-12H2,1-6H3/t15-,16+,17-,18+,19+,20+,22+,24-,25-/m0/s1

InChIKey: InChIKey=CQMCCBFTGIIXMG-ZDIOTCLBSA-N

Formula: C25H38O7

Molecular Weight: 450.565981

Exact Mass: 450.261754

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Phan, M.G., Phan, T.S., Hamada, Y., Otsuka, H. Chem Pharm Bull (2005) 53, 296-300

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 (CH) 73.2
2 (CH2) 22.7
3 (CH2) 35.1
4 (C) 32.9
5 (CH) 47.7
6 (CH2) 27.9
7 (CH) 72.6
8 (C) 61.5
9 (CH) 48.5
10 (C) 42.7
11 (CH2) 16.8
12 (CH2) 25.4
13 (CH) 38.7
14 (CH) 76.7
15 (C) 217.4
16 (CH) 49.9
17 (CH2) 68.5
18 (CH3) 33.2
19 (CH3) 21.5
20 (CH3) 18.6
1a (C) 170.2
1b (CH3) 21.3
14a (C) 170.2
14b (CH3) 21.3
17a (CH3) 59.1