(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]butan-2-yl]oxyoxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]butan-2-yl]oxyoxane-3,4,5-triol

Common Name: (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]butan-2-yl]oxyoxane-3,4,5-triol

Synonyms: (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]butan-2-yl]oxyoxane-3,4,5-triol

CAS Registry Number:

InChI: InChI=1S/C24H42O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h13-14,16-22,25-31H,5-11H2,1-4H3/t13-,14-,16-,17-,18+,19-,20+,21-,22-,24-/m1/s1

InChIKey: InChIKey=KXAHRTBPIZOXEC-RLVPMTPJSA-N

Formula: C24H42O11

Molecular Weight: 506.584627

Exact Mass: 506.272712

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Ma S.J., Watanabe N., Yagi A., Sakata K. Phytochemistry (2001) 56, 819-25

Species:

Notes: Family : Terpenoids, Type : Miscellanea, Group : Megastigmanes; 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 (C) 40
2 (CH2) 49.8
3 (CH) 65.8
4 (CH2) 40.5
5 (C) 125.4
6 (C) 138.6
7 (CH2) 25.4
8 (CH2) 38.9
9 (CH) 76.4
10 (CH3) 19.9
11 (CH3) 30.4
12 (CH3) 29
13 (CH3) 20.2
1' (CH) 102.4
2' (CH) 75.2
3' (CH) 78
4' (CH) 71.8
5' (CH) 76.9
6' (CH2) 68.5
1'' (CH) 110.9
2'' (CH) 78.2
3'' (C) 80.6
4'' (CH2) 75.3
5'' (CH2) 65.8