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

InChIKey: InChIKey=PTIVJDNUAGEGNR-QTPLKFIXSA-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) 50.1
2 (CH2) 40
3 (CH) 65.5
4 (C) 62
5 (CH) 65
6 (CH2) 28.5
7 (CH2) 27.2
8 (CH) 49
9 (CH) 34
10 (CH2) 40
11 (C) 34.5
12 (CH3) 29
13 (CH3) 30.5
14 (CH3) 22
15 (CH2) 70.5