AFLATREM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H39NO4
Molecular Weight	501.6564
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC3=C(NC4=C3C(=CC=C4)C(C)(C)C=C)[C@]1(C)[C@@]5(C)CC[C@@]67O[C@@H](C(=O)C=C6[C@]5(O)CC2)C(C)(C)O7

InChI

InChIKey=YVDJBQQJIDPRKP-SLUQHKSNSA-N

InChI=1S/C32H39NO4/c1-8-27(2,3)20-10-9-11-21-24(20)19-16-18-12-13-31(35)23-17-22(34)26-28(4,5)37-32(23,36-26)15-14-29(31,6)30(18,7)25(19)33-21/h8-11,17-18,26,33,35H,1,12-16H2,2-7H3/t18-,26-,29+,30+,31+,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H39NO4
Molecular Weight	501.6564
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 10:35:50 GMT 2023` Edited by `admin` on `Sat Dec 16 10:35:50 GMT 2023`
Record UNII	ZEL123Y65D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AFLATREM

Common Name

English

4H-3,15A-EPOXY-1-BENZOXEPINO(6',7':6,7)INDENO(1,2-B)INDOL-4-ONE, 9-(1,1-DIMETHYL-2-PROPENYL)-2,3,5B,6,7,7A,8,13,13B,13C,14,15-DODECAHYDRO-5B-HYDROXY-2,2,13B,13C-TETRAMETHYL-, (3R-(3.ALPHA.,5B.ALPHA.,7A.BETA.,13B.ALPHA.,13C.BETA.,15A.ALPHA.))-

Systematic Name

English

4H-3,15A-EPOXY-1-BENZOXEPINO(6',7':6,7)INDENO(1,2-B)INDOL-4-ONE, 9-(1,1-DIMETHYL-2-PROPEN-1-YL)-2,3,5B,6,7,7A,8,13,13B,13C,14,15-DODECAHYDRO-5B-HYDROXY-2,2,13B,13C-TETRAMETHYL-, (3R,5BS,7AS,13BS,13CR,15AS)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

21118293

Created by admin on Sat Dec 16 10:35:50 GMT 2023 , Edited by admin on Sat Dec 16 10:35:50 GMT 2023

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EPA CompTox

DTXSID70990787

Created by admin on Sat Dec 16 10:35:50 GMT 2023 , Edited by admin on Sat Dec 16 10:35:50 GMT 2023

PRIMARY

CAS

70553-75-2

Created by admin on Sat Dec 16 10:35:50 GMT 2023 , Edited by admin on Sat Dec 16 10:35:50 GMT 2023

PRIMARY

FDA UNII

ZEL123Y65D

Created by admin on Sat Dec 16 10:35:50 GMT 2023 , Edited by admin on Sat Dec 16 10:35:50 GMT 2023

PRIMARY