(+)-(3S)-Petasitan-3-ol

(+)-(3S)-Petasitan-3-ol

Common Name: (+)-(3S)-Petasitan-3-ol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H26O/c1-10(2)15(16)8-7-13(3)11-5-6-12(9-11)14(13,15)4/h10-12,16H,5-9H2,1-4H3/t11-,12+,13+,14-,15-/m0/s1

InChIKey: InChIKey=WKIFBLKRQAKNME-QRTUWBSPSA-N

Formula: C15H26O1

Molecular Weight: 222.366903

Exact Mass: 222.198365

NMR Solvent: C6D6

MHz:

Calibration:

NMR references: 13C - Saritas, Y., von Reuss, S.H., Konig, W.A. Phytochemistry (2002) 59, 795-803

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Petasitanes; 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) 44.62
2 (C) 53.59
3 (C) 88.55
4 (CH2) 36.58
5 (CH2) 38.58
6 (C) 53.01
7 (CH) 46.41
8 (CH2) 23.34
9 (CH2) 25.27
10 (CH2) 37.85
11 (CH) 33.25
12 (CH3) 17.61
13 (CH3) 19.06
14 (CH3) 19
15 (CH3) 20.71