5-O-acetyl-3-O-butanoyl-12-hydroxylathyrol

5-O-acetyl-3-O-butanoyl-12-hydroxylathyrol

Common Name: 5-O-acetyl-3-O-butanoyl-12-hydroxylathyrol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H38O7/c1-8-9-18(28)33-23-14(3)12-26(31)20(23)22(32-16(5)27)13(2)10-11-17-19(25(17,6)7)21(29)15(4)24(26)30/h14,17,19-20,22-23,29,31H,2,8-12H2,1,3-7H3/b21-15-/t14-,17-,19-,20-,22-,23-,26+/m0/s1

InChIKey: InChIKey=AHNFUCHNSXNMSD-IGONMUMCSA-N

Formula: C26H38O7

Molecular Weight: 462.576716

Exact Mass: 462.261754

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Appendino, G., Tron, G.C., Cravotto, G., Palmisano, G., Jakupovic, J. J Nat Prod (1999) 62, 76-9

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lathyranes; 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) 50.3
2 (CH) 37.9
3 (CH) 79.9
4 (CH) 53.4
5 (CH) 67.5
6 (C) 149.8
7 (CH2) 35.3
8 (CH2) 21.6
9 (CH) 35.9
10 (C) 25.2
11 (CH) 28.3
12 (C) 152.4
13 (C) 134.2
14 (C) 202.2
15 (C) 88.1
16 (CH3) 14.1
17 (CH2) 114.7
18 (CH3) 28.3
19 (CH3) 15.7
20 (CH3) 12.2
3a (C) 173.8
3b (CH2) 35.9
3c (CH2) 18.1
3d (CH3) 13.2
5a (C) 170.4
5b (CH3) 21