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cortivazol

PropertiesImage
MNX_IDMNXM47705 Image of MNXM47705
referencechebi:135820
formulaC32H38N2O5
global charge0
mol weight530.665
InChIKeyRKHQGWMMUURILY-UHRZLXHJSA-N
InChIInChI=1S/C32H38N2O5/c1-18-11-23-25-12-19(2)32(38,28(37)17-39-20(3)35)31(25,5)15-27(36)29(23)30(4)14-21-16-33-34(26(21)13-24(18)30)22-9-7-6-8-10-22/h6-11,13,16,19,23,25,27,29,36,38H,12,14-15,17H2,1-5H3/t19-,23+,25+,27+,29-,30+,31+,32+/m1/s1
SMILESCC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C=C(C)C4=CC5=C(C=NN5C5=CC=CC=C5)C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
MNX internals
InChI (mnx)InChI=1/C32H38N2O5/c1-18-11-23-25-12-19(2)32(38,28(37)17-39-20(3)35)31(25,5)15-27(36)29(23)30(4)14-21-16-33-34(26(21)13-24(18)30)22-9-7-6-8-10-22/h6-11,13,16,19,23,25,27,29,36,38H,12,14-15,17H2,1-5H3/t19-,23+,25+,27+,29-,30+,31+,32+/m1/s1 Image of MNXM47705
SMILES (mnx)[CH3:1][C:18]1=[CH:11][C@H:23]2[C@@H:25]3[CH2:12][C@@H:19]([CH3:2])[C@@:32]([C:28]([CH2:17][O:39][C:20]([CH3:3])=[O:35])=[O:37])([OH:38])[C@@:31]3([CH3:5])[CH2:15][C@H:27]([OH:36])[C@@H:29]2[C@@:30]2([CH3:4])[CH2:14][C:21]3=[C:26]([CH:13]=[C:24]12)[N:34]([C:22]1=[CH:9][CH:7]=[CH:6][CH:8]=[CH:10]1)[N:33]=[CH:16]3
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:135820
chebi:135820
RKHQGWMMUURILY-UHRZLXHJSA-N 		cortivazol
idaltim

kegg.drug:D03594
keggD:D03594
RKHQGWMMUURILY-UHRZLXHJSA-N 		Cortivazol (USAN)
hmdb:HMDB0250470
RKHQGWMMUURILY-UHFFFAOYSA-N 		Cortivazol
2-{17,20-dihydroxy-2,11,16,18-tetramethyl-7-phenyl-6,7-diazapentacyclo[11.7.0.0^{2,10}.0^{4,8}.0^{14,18}]icosa-4(8),5,9,11-tetraen-17-yl}-2-oxoethyl acetate
Dilaster
Idaltim

keggD:M_D03594 		secondary/obsolete/fantasy identifier