Common Name: (11S,13S,16R,3'S,3''S,3'''S)-2a,6a-Diacetoxy-19-[[3'-[[3''-[(3'''-acetoxybutyryl)oxy]butyryl]oxy]butyryl]oxy]-4r,18;11,16-diepoxyneoclerodan-15,16-oli
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H54O16/c1-19-9-30(52-25(7)41)38(18-46-31(42)10-21(3)49-33(44)12-22(4)50-32(43)11-20(2)48-23(5)39)28(15-27(51-24(6)40)16-37(38)17-47-37)36(19,8)29-13-26-14-34(45)54-35(26)53-29/h19-22,26-30,35H,9-18H2,1-8H3/t19-,20+,21-,22-,26+,27-,28-,29+,30+,35-,36+,37+,38+/m1/s1
InChIKey: InChIKey=CJGGMOXJVMZIQC-ZMZFVNSESA-N
Formula: C38H54O16
Molecular Weight: 766.827244
Exact Mass: 766.341186
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) | 28 |
2 (CH) | 70.7 |
3 (CH2) | 38.1 |
4 (C) | 62.1 |
5 (C) | 44.6 |
6 (CH) | 71.6 |
7 (CH2) | 33.2 |
8 (CH) | 36.2 |
9 (C) | 40.3 |
10 (CH) | 43.8 |
11 (CH) | 84.6 |
12 (CH2) | 32 |
13 (CH) | 38.1 |
14 (CH2) | 35.3 |
15 (C) | 175 |
16 (CH) | 106.8 |
17 (CH3) | 16.2 |
18 (CH2) | 48.3 |
19 (CH2) | 61.7 |
20 (CH3) | 13.9 |
2a (C) | 170 |
2b (CH3) | 21.1 |
6a (C) | 170.1 |
6b (CH3) | 21.1 |
19a (C) | 169.7 |
19b (CH2) | 40.9 |
19c (CH) | 67.6 |
19d (C) | 170.6 |
19e (CH2) | 40.9 |
19f (CH) | 67.5 |
19g (C) | 169.1 |
19h (CH2) | 40.8 |
19i (CH) | 67.2 |
19j (C) | 169.2 |
19k (CH3) | 19.7 |
19l (CH3) | 19.8 |
19m (CH3) | 19.9 |
19n (CH3) | 21.3 |