CP-242184

Details

Stereochemistry	ACHIRAL
Molecular Formula	C53H70F2N2O16
Molecular Weight	1029.1235
Optical Activity	UNSPECIFIED
Defined Stereocenters	22 / 22
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@H](CC[C@]5(C)[C@@]4([H])CC(=O)[C@]3(C)[C@@]1([H])[C@H](C)[C@@]6(CC[C@@H](C)CO6)O2)O[C@]7([H])O[C@H](CO)[C@@H](O[C@]8([H])O[C@H](COC(=O)NC9=C(F)C=CC=C9)[C@@H](OC(=O)NC%10=CC=CC=C%10F)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O

InChI

InChIKey=QNWQSPANFRVENF-YACKTAHQSA-N

InChI=1S/C53H70F2N2O16/c1-25-15-18-53(67-23-25)26(2)40-36(73-53)20-31-29-14-13-27-19-28(16-17-51(27,3)30(29)21-39(59)52(31,40)4)68-47-43(62)41(60)45(37(22-58)69-47)71-48-44(63)42(61)46(72-50(65)57-35-12-8-6-10-33(35)55)38(70-48)24-66-49(64)56-34-11-7-5-9-32(34)54/h5-12,25-31,36-38,40-48,58,60-63H,13-24H2,1-4H3,(H,56,64)(H,57,65)/t25-,26+,27+,28+,29-,30+,31+,36+,37-,38-,40+,41-,42-,43-,44-,45-,46-,47-,48+,51+,52-,53-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C53H70F2N2O16
Molecular Weight	1029.1235
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	21 / 22
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:36:20 GMT 2023` Edited by `admin` on `Fri Dec 15 15:36:20 GMT 2023`
Record UNII	L1FA03M145
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CP-242184

Common Name

English

SPIROSTAN-12-ONE, 3-((4-O-(4,6-BIS-O-(((2-FLUOROPHENYL)AMINO)CARBONYL)-.BETA.-D-GLUCOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-, (3.BETA.,5.ALPHA.,25R)-

Systematic Name

English

CP-242,184

Code

English

Code System Code Type Description

PUBCHEM

101713733

Created by admin on Fri Dec 15 15:36:20 GMT 2023 , Edited by admin on Fri Dec 15 15:36:20 GMT 2023

PRIMARY

CAS

171267-34-8

Created by admin on Fri Dec 15 15:36:20 GMT 2023 , Edited by admin on Fri Dec 15 15:36:20 GMT 2023

PRIMARY

FDA UNII

L1FA03M145

Created by admin on Fri Dec 15 15:36:20 GMT 2023 , Edited by admin on Fri Dec 15 15:36:20 GMT 2023

PRIMARY

Related Record Type Details


					L1FA03M145

CP-242184

ACTIVE MOIETY