Ent-13,16b-dihydroxykauran-17-acetoxy-19-oic acid

Ent-13,16b-dihydroxykauran-17-acetoxy-19-oic acid

Common Name: Ent-13,16b-dihydroxykauran-17-acetoxy-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H34O6/c1-14(23)28-13-22(27)12-20-9-5-15-18(2,7-4-8-19(15,3)17(24)25)16(20)6-10-21(22,26)11-20/h15-16,26-27H,4-13H2,1-3H3,(H,24,25)/t15-,16-,18+,19+,20-,21-,22-/m0/s1

InChIKey: InChIKey=PCBAVLDOHNSHSL-TUUFXUNSSA-N

Formula: C22H34O6

Molecular Weight: 394.502605

Exact Mass: 394.235539

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Yang, L.M., Hsu, F.L., Chang, S.F., Cheng, J.T., Hsu, J.Y., Hsu, C.Y., Liu, P.C., Lin, S.J. Phytochemistry (2007) 68, 562-70

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) 40.9
2 (CH2) 19.8
3 (CH2) 38.6
4 (C) 43.9
5 (CH) 56.8
6 (CH2) 22.8
7 (CH2) 42.7
8 (C) 41.7
9 (CH) 55.1
10 (C) 39.8
11 (CH2) 20.1
12 (CH2) 34.1
13 (C) 80.2
14 (CH2) 44.5
15 (CH2) 52.3
16 (C) 77.1
17 (CH2) 68
18 (CH3) 29.3
19 (C) 180.1
20 (CH3) 15.8
17a (C) 171.3
17b (CH3) 20.9