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)
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 |