(2S)-4-({(1R,3R,4aR,5S,6R,8S,8aR)-3,8-Diacetoxy-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]octahydro-8aH-spiro[naphthalene-1,2'-oxiran]-8a-yl}methoxy)-4-oxo-2-butanyl (3S)- 3-acetoxybutanoate

(2S)-4-({(1R,3R,4aR,5S,6R,8S,8aR)-3,8-Diacetoxy-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]octahydro-8aH-spiro[naphthalene-1,2'-oxiran]-8a-yl}methoxy)-4-oxo-2-butanyl (3S)- 3-acetoxybutanoate

Common Name: (2S)-4-({(1R,3R,4aR,5S,6R,8S,8aR)-3,8-Diacetoxy-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]octahydro-8aH-spiro[naphthalene-1,2'-oxiran]-8a-yl}methoxy)-4-oxo-2-butanyl (3S)- 3-acetoxybutanoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C34H48O13/c1-18-10-28(46-23(6)37)34(17-41-29(38)11-20(3)44-30(39)12-19(2)43-21(4)35)26(14-25(45-22(5)36)15-33(34)16-42-33)32(18,7)27-13-24-8-9-40-31(24)47-27/h8-9,18-20,24-28,31H,10-17H2,1-7H3/t18-,19-,20-,24-,25-,26-,27+,28+,31+,32+,33+,34+/m1/s1

InChIKey: InChIKey=IAXNFDVDVWTCGH-TWZQETIBSA-N

Formula: C34H48O13

Molecular Weight: 664.738441

Exact Mass: 664.309492

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) 28.1
2 (CH) 70.7
3 (CH2) 38.3
4 (C) 62.1
5 (C) 44.7
6 (CH) 71.9
7 (CH2) 33.4
8 (CH) 36.4
9 (C) 40.1
10 (CH) 44.4
11 (CH) 84.7
12 (CH2) 31.2
13 (CH) 46
14 (CH) 101.9
15 (CH) 146.9
16 (CH) 107.7
17 (CH3) 16.1
18 (CH2) 48.3
19 (CH2) 61.9
20 (CH3) 14.1
2a (C) 169.9
2b (CH3) 21.1
6a (C) 170
6b (CH3) 21.2
19a (C) 169.7
19b (CH2) 40.9
19c (CH) 67.6
19d (C) 170.4
19e (CH2) 41.1
19f (CH) 67.2
19g (C) 169.2
19h (CH3) 19.9
19k (CH3) 19.9
19l (CH3) 21.1