ORG-31710

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 Search

SMILES

[H][C@@]12CC[C@@]3(CCCO3)[C@@]1(C)C[C@H](C4=CC=C(C=C4)N(C)C)C5=C6CCC(=O)C=C6[C@H](C)C[C@@]25[H]

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

Molecular Formula	C30H39NO2
Molecular Weight	445.6362
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:22:28 GMT 2023` Edited by `admin` on `Sat Dec 16 10:22:28 GMT 2023`
Record UNII	X2V3MG6PE8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ORG-31710

Common Name

English

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.)-

Systematic 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