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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H48O6
Molecular Weight 480.6771
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 24-EPIBRASSINOLIDE

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])COC(=O)[C@@]4([H])C[C@H](O)[C@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)[C@H](O)[C@H](C)C(C)C

InChI

InChIKey=IXVMHGVQKLDRKH-QHBHMFGVSA-N
InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,22+,23-,24-,25-,27-,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H48O6
Molecular Weight 480.6771
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 13 / 13
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:15:25 GMT 2023
Edited
by admin
on Sat Dec 16 18:15:25 GMT 2023
Record UNII
49CN25465Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
24-EPIBRASSINOLIDE
Common Name English
B-HOMO-7-OXAERGOSTAN-6-ONE, 2,3,22,23-TETRAHYDROXY-, (2.ALPHA.,3.ALPHA.,5.ALPHA.,22R,23R)-
Systematic Name English
24-EPI-BRASSINOLIDE
Systematic Name English
24(R)-EPIBRASSINOLIDE
Common Name English
(22R,23R,24R)-2.ALPHA.,3.ALPHA.,22,23-TETRAHYDROXY-B-HOMO-7-OXA-5.ALPHA.-ERGOSTAN-6-ONE
Systematic Name English
(1R,3AS,3BS,6AS,8S,9R,10AR,10BS,12AS)-1-((1S,2R,3R,4R)-2,3-DIHYDROXY-1,4,5-TRIMETHYLHEXYL)HEXADECAHYDRO-8,9-DIHYDROXY-10A,12A-DIMETHYL-6H-BENZ(C)INDENO(5,4-E)OXEPIN-6-ONE
Systematic Name English
SUNERGIST EBR
Common Name English
6H-BENZ(C)INDENO(5,4-E)OXEPIN-6-ONE, 1-(2,3-DIHYDROXY-1,4,5-TRIMETHYLHEXYL)HEXADECAHYDRO-8,9-DIHYDROXY-10A,12A-DIMETHYL-, (1R-(1.ALPHA.(1S*,2R*,3R*,4R*),3A.BETA.,3B.ALPHA.,6A.BETA.,8.BETA.,9.BETA.,10A.ALPHA.,10B.BETA.,12A.ALPHA.))-
Systematic Name English
B-1105
Code English
EPIBRASSINOLIDE R
Common Name English
Code System Code Type Description
FDA UNII
49CN25465Y
Created by admin on Sat Dec 16 18:15:25 GMT 2023 , Edited by admin on Sat Dec 16 18:15:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID10705357
Created by admin on Sat Dec 16 18:15:25 GMT 2023 , Edited by admin on Sat Dec 16 18:15:25 GMT 2023
PRIMARY
CAS
78821-43-9
Created by admin on Sat Dec 16 18:15:25 GMT 2023 , Edited by admin on Sat Dec 16 18:15:25 GMT 2023
PRIMARY
CHEBI
27722
Created by admin on Sat Dec 16 18:15:25 GMT 2023 , Edited by admin on Sat Dec 16 18:15:25 GMT 2023
PRIMARY
PUBCHEM
443055
Created by admin on Sat Dec 16 18:15:25 GMT 2023 , Edited by admin on Sat Dec 16 18:15:25 GMT 2023
PRIMARY