(1R)-1,5-Anhydro-2,6-dideoxy-1-[(3R,4aR,12bS)-3-{[(2S,5S,6S)-5-({2,6-dideoxy-3-O-[(2S,5S,6S)-5-({2,6-dideoxy-3-O-[(2S,5S,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-β-D-arabino-hexopyranosyl}ox y)-6-methyltetrahydro-2H-pyran-2-yl]-β-D-arabino-hexopyranosyl}oxy)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4a,8,12b-trihydroxy-3-methyl-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydro-9-tetraphenyl]-4-O -{2,6-dideoxy-4-O-[(2S,5S,6S)-5-{[(2ξ)-3,6-

(1R)-1,5-Anhydro-2,6-dideoxy-1-[(3R,4aR,12bS)-3-{[(2S,5S,6S)-5-({2,6-dideoxy-3-O-[(2S,5S,6S)-5-({2,6-dideoxy-3-O-[(2S,5S,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-β-D-arabino-hexopyranosyl}ox y)-6-methyltetrahydro-2H-pyran-2-yl]-β-D-arabino-hexopyranosyl}oxy)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4a,8,12b-trihydroxy-3-methyl-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydro-9-tetraphenyl]-4-O -{2,6-dideoxy-4-O-[(2S,5S,6S)-5-{[(2ξ)-3,6-

Common Name: (1R)-1,5-Anhydro-2,6-dideoxy-1-[(3R,4aR,12bS)-3-{[(2S,5S,6S)-5-({2,6-dideoxy-3-O-[(2S,5S,6S)-5-({2,6-dideoxy-3-O-[(2S,5S,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-β-D-arabino-hexopyranosyl}ox y)-6-methyltetrahydro-2H-pyran-2-yl]-β-D-arabino-hexopyranosyl}oxy)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4a,8,12b-trihydroxy-3-methyl-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydro-9-tetraphenyl]-4-O -{2,6-dideoxy-4-O-[(2S,5S,6S)-5-{[(2ξ)-3,6-

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C74H106O30/c1-31-43(75)14-18-55(89-31)99-51-27-60(93-36(6)64(51)80)97-47-15-19-56(90-33(47)3)100-52-28-61(94-37(7)65(52)81)98-48-17-21-58(92-34(48)4)104-72(10)29-54(79)74(86)63-42(22-23-73(74,85)30-72)67(83)62-41(68(63)84)13-12-40(66(62)82)50-25-45(77)69(38(8)88-50)103-59-26-46(78)70(39(9)95-59)102-57-20-16-49(35(5)91-57)101-71-53(87-11)24-44(76)32(2)96-71/h12-13,22-23,31-39,43,45-53,55-61,64-65,69-71,75,77-78,80-82,85-86H,14-21,24-30H2,1-11H3/t31-,32-,33-,34-,35-,36+,37+,38+,39-,43-,45+,46-,47-,48-,49-,50+,51+,52+,53?,55-,56-,57-,58-,59-,60-,61-,64+,65+,69+,70+,71-,72-,73-,74-/m0/s1

InChIKey: InChIKey=RAIIFWALKPVBFS-OSQCIXRJSA-N

Formula: C74H106O30

Molecular Weight: 1475.618324

Exact Mass: 1474.676892

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Stroch, K., Zeeck, A., Antal, N., Fiedler, H.P. J Antibiot (2005) 58, 103-10

Species:

Notes: Family : Aromatics, Type : Anthraquinones, Group : Angucyclines; 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) 204.8
2 (CH2) 50.1
3 (C) 82.3
4 (CH2) 44.7
4a (C) 79.9
5 (CH) 145.5
6 (CH) 117.4
6a (C) 138.7
7 (C) 188.1
7a (C) 113.9
8 (C) 157.9
9 (C) 138.1
10 (CH) 133.4
11 (CH) 119.6
11a (C) 130.4
12 (C) 182.1
12a (C) 138.8
12b (C) 77.4
13 (CH3) 25.4
1' (CH) 70.9
2' (CH2) 38.6
3' (CH) 71.1
4' (CH) 89.5
5' (CH) 74.2
6' (CH3) 18.4
1'' (CH) 100
2'' (CH2) 32.1
3'' (CH) 66.7
4'' (CH) 79
5'' (CH) 64.5
6'' (CH3) 16
1''' (CH) 99.5
2''' (CH2) 24.4
3''' (CH2) 24.6
4''' (CH) 75.5
5''' (CH) 67.1
6''' (CH3) 17.2
1'''' (CH) 100.5
2'''' (CH) 78.8
3'''' (CH2) 39.7
4'''' (C) 207.5
5'''' (CH) 71.9
6'''' (CH3) 14.8
1''''' (CH) 92.6
2''''' (CH2) 24.6
3''''' (CH2) 24.5
4''''' (CH) 75.8
5''''' (CH) 67.4
6''''' (CH3) 16.9
1'''''' (CH) 101.2
2'''''' (CH2) 36.9
3'''''' (CH) 80.5
4'''''' (CH) 75.6
5'''''' (CH) 71.7
6'''''' (CH3) 18
1''''''' (CH) 97.2
2''''''' (CH2) 25
3''''''' (CH2) 24.5
4''''''' (CH) 75.5
5''''''' (CH) 67.4
6''''''' (CH3) 16.9
1'''''''' (CH) 101.4
2'''''''' (CH2) 37.1
3'''''''' (CH) 80.8
4'''''''' (CH) 75.6
5'''''''' (CH) 71.7
6'''''''' (CH3) 18
1''''''''' (CH) 97.5
2''''''''' (CH2) 24
3''''''''' (CH2) 25.2
4''''''''' (CH) 67.1
5''''''''' (CH) 67
6''''''''' (CH3) 17.1
2''''a (CH3) 57