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BE-24566B

PropertiesImage
MNX_IDMNXM102997 Image of MNXM102997
referencechebi:65474
formulaC27H24O7
global charge0
mol weight460.482
InChIKeyMDUGEFRGUDVHQH-UHFFFAOYSA-N
InChIInChI=1S/C27H24O7/c1-11-5-13(28)9-18-19(11)25-20-12(10-27(4,33-18)34-25)6-15-22(23(20)31)24(32)21-16(26(15,2)3)7-14(29)8-17(21)30/h5-9,25,28-31H,10H2,1-4H3
SMILESCC1=CC(O)=CC2=C1C1OC(C)(CC3=CC4=C(C(=O)C5=C(O)C=C(O)C=C5C4(C)C)C(O)=C31)O2
MNX internals
InChI (mnx)InChI=1/C27H24O7/c1-11-5-13(28)9-18-19(11)25-20-12(10-27(4,33-18)34-25)6-15-22(23(20)31)24(32)21-16(26(15,2)3)7-14(29)8-17(21)30/h5-9,25,28-31H,10H2,1-4H3/t25?,27? Image of MNXM102997
SMILES (mnx)[CH3:1][C:11]1=[CH:5][C:13]([OH:28])=[CH:9][C:18]2=[C:19]1[CH:25]1[C:20]3=[C:12]([CH:6]=[C:15]4[C:22](=[C:23]3[OH:31])[C:24](=[O:32])[C:21]3=[C:17]([OH:30])[CH:8]=[C:14]([OH:29])[CH:7]=[C:16]3[C:26]4([CH3:2])[CH3:3])[CH2:10][C:27]([CH3:4])([O:33]2)[O:34]1
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:65474
chebi:65474
MDUGEFRGUDVHQH-UHFFFAOYSA-N 		BE-24566B
3,11,13,15-tetrahydroxy-1,6,9,9-tetramethyl-6,7,9,16-tetrahydro-14H-6,16-epoxyanthra[2,3-e]benzo[b]oxocin-14-one