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CHEBI:232988 - NSC80997

Default Structure
ChEBI IDCHEBI:232988
ChEBI NameNSC80997
Stars
Submitterruixy
DownloadsMolfile
FormulaC30H36N2O3
Net Charge0
Average Mass472.629
Monoisotopic Mass472.27259
SMILES[H][C@@]12C=C(C)C3=Cc4c(cnn4-c4ccccc4)C[C@]3(C)[C@@]1([H])[C@@]([H])(O)C[C@@]1(C)[C@@]2([H])C[C@@]([H])(C)[C@]1(O)C(C)=O
InChIInChI=1S/C30H36N2O3/c1-17-11-22-24-12-18(2)30(35,19(3)33)29(24,5)15-26(34)27(22)28(4)14-20-16-31-32(25(20)13-23(17)28)21-9-7-6-8-10-21/h6-11,13,16,18,22,24,26-27,34-35H,12,14-15H2,1-5H3/t18-,22+,24+,26+,27-,28+,29+,30+/m1/s1
InChIKeyJNLRDLXILRYUQT-RCBUNWFXSA-N
ChEBI Ontology
Outgoing Relation(s)
NSC80997 (CHEBI:232988) is a organic molecular entity (CHEBI:50860)
Synonym  Source
Ketone, 1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydro-1, 11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenylcyclopenta[7, 8]phenanthro[2,3-c]pyrazol-1-yl methylSUBMITTER
Registry NumbersSources
CAS:14000-43-2SUBMITTER