(11S,13S,16R,3'S,3''S)-2a,6a-Diacetoxy-19-[[3'-[(3''-acetoxybutyryl)oxy]butyryl]-oxy]-4r,18;11,16-diepoxyneoclerodan-15,16-olide

(11S,13S,16R,3'S,3''S)-2a,6a-Diacetoxy-19-[[3'-[(3''-acetoxybutyryl)oxy]butyryl]-oxy]-4r,18;11,16-diepoxyneoclerodan-15,16-olide

Common Name: (11S,13S,16R,3'S,3''S)-2a,6a-Diacetoxy-19-[[3'-[(3''-acetoxybutyryl)oxy]butyryl]-oxy]-4r,18;11,16-diepoxyneoclerodan-15,16-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C34H48O14/c1-17-8-27(46-22(6)37)34(16-41-28(38)9-19(3)44-29(39)10-18(2)43-20(4)35)25(13-24(45-21(5)36)14-33(34)15-42-33)32(17,7)26-11-23-12-30(40)48-31(23)47-26/h17-19,23-27,31H,8-16H2,1-7H3/t17-,18-,19-,23+,24-,25-,26+,27+,31-,32+,33+,34+/m1/s1

InChIKey: InChIKey=GCUNHSZEOJUAHL-GYWDWPIFSA-N

Formula: C34H48O14

Molecular Weight: 680.737846

Exact Mass: 680.304406

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Rodriguez, B., delaTorre, M.C., Jimeno, M.L., Bruno, M., Vassallo, N., Bondi, M., Piozzi, F., Servettaz, O. J Nat Prod (1997) 60, 348-55

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) 27.9
2 (CH) 70.5
3 (CH2) 38
4 (C) 61.9
5 (C) 44.4
6 (CH) 71.5
7 (CH2) 33.1
8 (CH) 36.1
9 (C) 40.2
10 (CH) 43.7
11 (CH) 84.5
12 (CH2) 31.9
13 (CH) 38
14 (CH2) 35.1
15 (C) 175
16 (CH) 106.7
17 (CH3) 16
18 (CH2) 48.2
19 (CH2) 61.6
20 (CH3) 13.7
2a (C) 169.8
2b (CH3) 21
6a (C) 170
6b (CH3) 21
19a (C) 169.6
19b (CH2) 40.9
19c (CH) 67.4
19d (C) 170.5
19e (CH2) 40.7
19f (CH) 67.1
19g (C) 169.2
19h (CH3) 19.7
19k (CH3) 19.7
19l (CH3) 21.1