(5b,16a)-4,16,17-Trihydroxy-3,4-seco-phyllocladan-3-oic Acid

(5b,16a)-4,16,17-Trihydroxy-3,4-seco-phyllocladan-3-oic Acid

Common Name: (5b,16a)-4,16,17-Trihydroxy-3,4-seco-phyllocladan-3-oic Acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H34O5/c1-17(2,24)14-6-9-19-10-13(20(25,11-19)12-21)4-5-15(19)18(14,3)8-7-16(22)23/h13-15,21,24-25H,4-12H2,1-3H3,(H,22,23)/t13-,14-,15-,18+,19+,20+/m1/s1

InChIKey: InChIKey=DDJDLXLOVVZKAD-SNDCPDFKSA-N

Formula: C20H34O5

Molecular Weight: 354.481728

Exact Mass: 354.240624

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Shao, Y., Hu, L.H., Sim, K.Y., Goh, S.H. Helv Chim Acta (2006) 89, 64-72

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phyllocladanes; 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) 38.58
2 (CH2) 32.76
3 (C) 174.56
4 (C) 85.67
5 (CH) 54.79
6 (CH2) 25.45
7 (CH2) 41.21
8 (C) 44.45
9 (CH) 57.19
10 (C) 40.65
11 (CH2) 20.74
12 (CH2) 27.59
13 (CH) 44.7
14 (CH2) 48.87
15 (CH2) 44.94
16 (C) 84.37
17 (CH2) 65.79
18 (CH3) 26.54
19 (CH3) 32.15
20 (CH3) 17.4