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Ejap-2

PropertiesImage
MNX_IDMNXM104808 Image of MNXM104808
referencechebi:66832
formulaC28H36O9
global charge0
mol weight516.587
InChIKeyZFUSDYXRBKYLMJ-WCHYYCAUSA-N
InChIInChI=1S/C28H36O9/c1-16-12-13-22(34-18(3)30)27(15-33-17(2)29)23(36-25(32)20-10-8-7-9-11-20)14-21-24(35-19(4)31)28(16,27)37-26(21,5)6/h7-11,16,21-24H,12-15H2,1-6H3/t16-,21-,22+,23+,24-,27+,28-/m1/s1
SMILESCC(=O)OC[C@@]12[C@@H](OC(C)=O)CC[C@@H](C)[C@]13OC(C)(C)[C@H](C[C@@H]2OC(=O)C1=CC=CC=C1)[C@H]3OC(C)=O
MNX internals
InChI (mnx)InChI=1/C28H36O9/c1-16-12-13-22(34-18(3)30)27(15-33-17(2)29)23(36-25(32)20-10-8-7-9-11-20)14-21-24(35-19(4)31)28(16,27)37-26(21,5)6/h7-11,16,21-24H,12-15H2,1-6H3/t16-,21-,22+,23+,24-,27+,28-/m1/s1 Image of MNXM104808
SMILES (mnx)[CH3:1][C@@H:16]1[CH2:12][CH2:13][C@H:22]([O:34][C:18]([CH3:3])=[O:30])[C@@:27]2([CH2:15][O:33][C:17]([CH3:2])=[O:29])[C@@H:23]([O:36][C:25]([C:20]3=[CH:10][CH:8]=[CH:7][CH:9]=[CH:11]3)=[O:32])[CH2:14][C@@H:21]3[C@@H:24]([O:35][C:19]([CH3:4])=[O:31])[C@:28]12[O:37][C:26]3([CH3:5])[CH3:6]
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:66832
chebi:66832
ZFUSDYXRBKYLMJ-WCHYYCAUSA-N 		Ejap-2
(1S,2R,5S,6S,7S,9R,12R)-5,12-Diacetoxy-6-(acetoxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-7-yl benzoate
1beta-6alpha-15-triacetoxy-9alpha-benzoyloxy-dihydro-beta-agarofuran