(1R,4R,5R,8S,9S,13S)-Caryolane-5,8,13-triol

(1R,4R,5R,8S,9S,13S)-Caryolane-5,8,13-triol

Common Name: (1R,4R,5R,8S,9S,13S)-Caryolane-5,8,13-triol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H26O3/c1-13(2)8-10-9(13)4-6-14(3)11(16)5-7-15(10,18)12(14)17/h9-12,16-18H,4-8H2,1-3H3/t9-,10+,11-,12+,14+,15-/m1/s1

InChIKey: InChIKey=ZNZACRWMACXOCV-GVKWNSGLSA-N

Formula: C15H26O3

Molecular Weight: 254.365713

Exact Mass: 254.188195

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Choudhary, M.I., Siddiqui, Z.A., Nawaz, S.A., Atta ur, R. J Nat Prod (2006) 69, 1429-34

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Caryophyllanes; 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) 42.6
2 (CH2) 30.5
3 (CH2) 29.8
4 (C) 38
5 (CH) 76
6 (CH2) 29.3
7 (CH2) 36.5
8 (C) 70.7
9 (CH) 37.8
10 (CH2) 35
11 (C) 34
12 (CH3) 16.8
13 (CH3) 26
14 (CH3) 27
15 (CH) 72.9