(5beta,9beta,10alpha,13S)-15-Oxopimara-8(14)-ene-16,19-diol 19-acetate

(5beta,9beta,10alpha,13S)-15-Oxopimara-8(14)-ene-16,19-diol 19-acetate

Common Name: (5beta,9beta,10alpha,13S)-15-Oxopimara-8(14)-ene-16,19-diol 19-acetate

Synonyms: (5beta,9beta,10alpha,13S)-15-Oxopimara-8(14)-ene-16,19-diol 19-acetate

CAS Registry Number:

InChI: InChI=1S/C22H34O4/c1-15(24)26-14-21(3)9-5-10-22(4)17-8-11-20(2,19(25)13-23)12-16(17)6-7-18(21)22/h12,17-18,23H,5-11,13-14H2,1-4H3/t17-,18-,20+,21-,22+/m1/s1

InChIKey: InChIKey=KPLNBGZQVQIMOU-MPAQAYSTSA-N

Formula: C22H34O4

Molecular Weight: 362.503795

Exact Mass: 362.24571

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Luo, X.D., Wu, S.H., Ma, Y.B., Wu, D.G. Phytochemistry (2001) 57, 131-4

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) 38.8
2 (CH2) 18.1
3 (CH2) 35.6
4 (C) 38.3
5 (CH) 48.5
6 (CH2) 22.3
7 (CH2) 36.7
8 (C) 140.8
9 (CH) 50.2
10 (C) 38.3
11 (CH2) 18.4
12 (CH2) 31.2
13 (C) 46.7
14 (CH) 123
15 (C) 214.3
16 (CH2) 64.8
17 (CH3) 23.5
18 (CH2) 72.9
19 (CH3) 17.8
20 (CH3) 15.5
18a (C) 171.1
18b (CH3) 20.9