RUBRATOXIN B

2-hydroxy-3-(1-hydroxyheptyl)-10-[hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone

Also Known As: RUBRATOXIN B|Rubratoxins|AC1L1KBM|CCRIS 4939|HSDB 3533|ZJTBTDVZNGBSNG-UHFFFAOYSA-N|EINECS 244-582-6|J9.265G|BRN 1633114|(4R*,5S*(R*),10S*(S*(S*)))-(+)-10-((3,6-Dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-1H-cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone|1H-Cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone, 10-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-|(+)-10-[(3,6-Dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-1H-cyclonona[1,2-c:5,6-c ]difuran-1,3,6,8(4H)-tetrone|1,5-Cyclononadiene-1,2,5,6-tetracarboxylic 1,2:5,6-dianhydride, 8-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-3-hydroxy-4-(1-hydroxyheptyl)-|1,5-Cyclononadiene-1,2,5,6-tetracarboxylic 1,2:5,6-dianhydride, 8-[(3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-3-hydroxy-4-(1-hydroxyheptyl)-|1H-Cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone, 10-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-, (4R*,5S*(R*),10S*(S*(S*)))-(+)-|1H-Cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone, 10-[(3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-, [4R*,5S*(R*),10S*[S*(S*)]]-(+)-|2-hydroxy-10-[hydroxy(6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl]-3-(1-hydroxyheptyl)-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone

Molecular Formula	C26H30O11
Molecular Weight	518.17883 g/mol
LogP	0.7
Topological Polar Surface Area	173.73 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	11
Rotatable Bonds	8
Exact Mass	518.17883
Heavy Atoms	37
Complexity	1097.8

Chemical Identifiers

CAS Number	21794-01-4
SMILES	CCCCCCC(C1C(C2=C(CC(CC3=C1C(=O)OC3=O)C(C4CC=CC(=O)O4)O)C(=O)OC2=O)O)O