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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H39NO2
Molecular Weight 445.6362
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ORG-31710

SMILES

C[C@@H]1C[C@H]2[C@@H]3CC[C@@]4(CCCO4)[C@@]3(C)C[C@H](C5=CC=C(C=C5)N(C)C)C2=C6CCC(=O)C=C16

InChI

InChIKey=HFDGABTZPISMDD-IEVXGSBISA-N
InChI=1S/C30H39NO2/c1-19-16-25-27-12-14-30(13-5-15-33-30)29(27,2)18-26(20-6-8-21(9-7-20)31(3)4)28(25)23-11-10-22(32)17-24(19)23/h6-9,17,19,25-27H,5,10-16,18H2,1-4H3/t19-,25+,26-,27+,29+,30+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SPIRO(ESTRA-4,9-DIENE-17,2'(3'H)-FURAN)-3-ONE, 11-(4-(DIMETHYLAMINO)PHENYL)-4',5'-DIHYDRO-6-METHYL-, (6.BETA.,11.BETA.,17.BETA.)-
Preferred Name English
ORG-31710
Common Name English
(6R,8S,11R,13S,14S,17R)-11-(4-(DIMETHYLAMINO)PHENYL)-6,13-DIMETHYL-1,4',5',6,7,8,11,12,13,14,15,16-DODECAHYDRO-3'H-SPIRO(CYCLOPENTA(A)PHENANTHRENE-17,2'-FURAN)-3(2H)-ONE
Systematic Name English
(6.BETA.,11.BETA.,17.BETA.)-11-(4-(DIMETHYLAMINO)PHENYL)-4',5'-DIHYDRO-6-METHYLSPIRO(ESTRA-4,9-DIENE-17,2'(3'H)-FURAN)-3-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
164090
Created by admin on Mon Mar 31 23:12:55 GMT 2025 , Edited by admin on Mon Mar 31 23:12:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID70922821
Created by admin on Mon Mar 31 23:12:55 GMT 2025 , Edited by admin on Mon Mar 31 23:12:55 GMT 2025
PRIMARY
DRUG BANK
DB15585
Created by admin on Mon Mar 31 23:12:55 GMT 2025 , Edited by admin on Mon Mar 31 23:12:55 GMT 2025
PRIMARY
CAS
118968-41-5
Created by admin on Mon Mar 31 23:12:55 GMT 2025 , Edited by admin on Mon Mar 31 23:12:55 GMT 2025
PRIMARY
FDA UNII
X2V3MG6PE8
Created by admin on Mon Mar 31 23:12:55 GMT 2025 , Edited by admin on Mon Mar 31 23:12:55 GMT 2025
PRIMARY