(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

(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

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)

Carbon NMR Peaks

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