.BETA.-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

CC(C)(C=C)C1=CC2=C(NC3=C2C[C@@H]4CC[C@@]5(O)C6=CC(=O)[C@@H]7O[C@@]6(CC[C@]5(C)[C@@]34C)OC7(C)C)C=C1

InChI

InChIKey=ONMXSHAELZXSPO-SDPXOEJRSA-N

InChI=1S/C32H39NO4/c1-8-27(2,3)18-9-10-22-20(15-18)21-16-19-11-12-31(35)24-17-23(34)26-28(4,5)37-32(24,36-26)14-13-29(31,6)30(19,7)25(21)33-22/h8-10,15,17,19,26,33,35H,1,11-14,16H2,2-7H3/t19-,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 `Mon Mar 31 23:19:59 GMT 2025` Edited by `admin` on `Mon Mar 31 23:19:59 GMT 2025`
Record UNII	1KBI5186B9
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

.BETA.-AFLATREM, (+)-

Preferred Name

English

.BETA.-AFLATREM

Common Name

English

AFLATREM B

Common Name

English

4H-3,15A-EPOXY-1-BENZOXEPINO(6',7':6,7)INDENO(1,2-B)INDOL-4-ONE, 10-(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-, (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, 10-(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,5BS,7AS,13BS,13CR,15AS)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

90659015

Created by admin on Mon Mar 31 23:19:59 GMT 2025 , Edited by admin on Mon Mar 31 23:19:59 GMT 2025

PRIMARY

FDA UNII

1KBI5186B9

Created by admin on Mon Mar 31 23:19:59 GMT 2025 , Edited by admin on Mon Mar 31 23:19:59 GMT 2025

PRIMARY

CAS

144446-23-1

Created by admin on Mon Mar 31 23:19:59 GMT 2025 , Edited by admin on Mon Mar 31 23:19:59 GMT 2025

PRIMARY