11.BETA.,16.ALPHA.,17,21-TETRAHYDROXY-5.ALPHA.,9-(EPOXY-1-ETHANYL-1-YLIDENEAMINO)PREGNANE-3,20-DIONE-16,17-ACETONIDE-21-ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H39NO8
Molecular Weight	517.6112
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 11.BETA.,16.ALPHA.,17,21-TETRAHYDROXY-5.ALPHA.,9-(EPOXY-1-ETHANYL-1-YLIDENEAMINO)PREGNANE-3,20-DIONE-16,17-ACETONIDE-21-ACETATE

Structure Search

SMILES

CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]3[C@@H]4CC[C@@]56CC(=O)CC[C@]5(C)[C@@]4(N=C(C)O6)[C@@H](O)C[C@]23C

InChI

InChIKey=MBHGSCXGUTURDA-QAIFSOJDSA-N

InChI=1S/C28H39NO8/c1-15-29-27-18(8-10-26(35-15)12-17(31)7-9-25(26,27)6)19-11-22-28(37-23(3,4)36-22,21(33)14-34-16(2)30)24(19,5)13-20(27)32/h18-20,22,32H,7-14H2,1-6H3/t18-,19-,20-,22+,24-,25-,26+,27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H39NO8
Molecular Weight	517.6112
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:28:20 GMT 2025` Edited by `admin` on `Mon Mar 31 21:28:20 GMT 2025`
Record UNII	742I36B23K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

11.BETA.,16.ALPHA.,17,21-TETRAHYDROXY-5.ALPHA.,9-(EPOXY-1-ETHANYL-1-YLIDENEAMINO)PREGNANE-3,20-DIONE-16,17-ACETONIDE-21-ACETATE

Preferred Name

English

Code System Code Type Description

PUBCHEM

91864445

Created by admin on Mon Mar 31 21:28:20 GMT 2025 , Edited by admin on Mon Mar 31 21:28:20 GMT 2025

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CAS

52091-92-6

Created by admin on Mon Mar 31 21:28:20 GMT 2025 , Edited by admin on Mon Mar 31 21:28:20 GMT 2025

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FDA UNII

742I36B23K

Created by admin on Mon Mar 31 21:28:20 GMT 2025 , Edited by admin on Mon Mar 31 21:28:20 GMT 2025

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