6a,13-Dihydroxystemaran-19-oic acid

6a,13-Dihydroxystemaran-19-oic acid

Common Name: 6a,13-Dihydroxystemaran-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O4/c1-17(16(22)23)6-4-7-18(2)15(17)14(21)9-13-10-19(3,24)12-5-8-20(13,18)11-12/h12-15,21,24H,4-11H2,1-3H3,(H,22,23)/t12-,13+,14+,15+,17-,18+,19-,20-/m1/s1

InChIKey: InChIKey=CISARLZZDSTHFG-UEISFTEMSA-N

Formula: C20H32O4

Molecular Weight: 336.466442

Exact Mass: 336.23006

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Lamm, A.S., Reynolds, W.F., Reese, P.B. Phytochemistry (2006) 67, 1088-93

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Stemaranes; 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) 32.2
2 (CH2) 18
3 (CH2) 36.9
4 (C) 71.8
5 (CH) 43.5
6 (CH) 72.4
7 (CH2) 39.2
8 (CH) 31.7
9 (C) 53.3
10 (C) 38.5
11 (CH2) 29.8
12 (CH) 45.7
13 (C) 73.9
14 (CH2) 39.8
15 (CH3) 27.4
16 (CH2) 25.3
17 (CH2) 29.3
18 (C) 183
19 (CH3) 17
20 (CH3) 16.9