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Artonol D

PropertiesImage
MNX_IDMNXM42750 Image of MNXM42750
referencechebi:187795
formulaC30H26O7
global charge0
mol weight498.531
InChIKeyBPBNMDXSLVPNFT-UHFFFAOYSA-N
InChIInChI=1S/C30H26O7/c1-13(2)16-11-17-24(33)21-18(31)12-19-14(7-9-29(3,4)36-19)26(21)35-27(17)22-20(16)25(34)28-15(23(22)32)8-10-30(5,6)37-28/h7-10,12,16,31H,1,11H2,2-6H3
SMILESC=C(C)C1CC2=C(OC3=C(C2=O)C(O)=CC2=C3C=CC(C)(C)O2)C2=C1C(=O)C1=C(C=CC(C)(C)O1)C2=O
MNX internals
InChI (mnx)InChI=1/C30H26O7/c1-13(2)16-11-17-24(33)21-18(31)12-19-14(7-9-29(3,4)36-19)26(21)35-27(17)22-20(16)25(34)28-15(23(22)32)8-10-30(5,6)37-28/h7-10,12,16,31H,1,11H2,2-6H3/t16? Image of MNXM42750
SMILES (mnx)[CH2:1]=[C:13]([CH3:2])[CH:16]1[CH2:11][C:17]2=[C:27]([C:22]3=[C:20]1[C:25](=[O:34])[C:28]1=[C:15]([CH:8]=[CH:10][C:30]([CH3:5])([CH3:6])[O:37]1)[C:23]3=[O:32])[O:35][C:26]1=[C:21]([C:18]([OH:31])=[CH:12][C:19]3=[C:14]1[CH:7]=[CH:9][C:29]([CH3:3])([CH3:4])[O:36]3)[C:24]2=[O:33]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:187795
chebi:187795
BPBNMDXSLVPNFT-UHFFFAOYSA-N 		Artonol D
17-hydroxy-7,7,21,21-tetramethyl-12-prop-1-en-2-yl-8,20,26-trioxahexacyclo[12.12.0.02,11.04,9.016,25.019,24]hexacosa-1(14),2(11),4(9),5,16(25),17,19(24),22-octaene-3,10,15-trione

lipidmaps:LMPK12111510
lipidmapsM:LMPK12111510
BPBNMDXSLVPNFT-UHFFFAOYSA-N 		Artonol D
hmdb:HMDB0030495
BPBNMDXSLVPNFT-UHFFFAOYSA-N 		Artonol D
17-hydroxy-7,7,21,21-tetramethyl-12-(prop-1-en-2-yl)-8,20,26-trioxahexacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁶,²⁵.0¹⁹,²⁴]hexacosa-1(14),2(11),4(9),5,16(25),17,19(24),22-octaene-3,10,15-trione
6-Hydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-[1]benzopyrano[7,6-c]pyrano[3,2-H]xanthene-7,10,15(9H,12H)-trione

hmdb:HMDB30495 		secondary/obsolete/fantasy identifier