BREVENAL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H60O8
Molecular Weight	656.8889
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@]3([H])O[C@]4([H])CC[C@](C)(O)[C@@H](CC\C=C/C=C)O[C@@]4([H])CC[C@@]3(C)O[C@@]1([H])[C@@H](O)C[C@@]5(C)O[C@@H](CC\C=C(C)\C(C)=C\C=O)[C@@H](C)C[C@]5([H])O2

InChI

InChIKey=JPBOABGEVHVPNM-LPEULFRDSA-N

InChI=1S/C39H60O8/c1-8-9-10-11-15-33-37(5,42)19-16-30-31(43-33)17-20-38(6)35(44-30)23-32-36(47-38)28(41)24-39(7)34(45-32)22-27(4)29(46-39)14-12-13-25(2)26(3)18-21-40/h8-10,13,18,21,27-36,41-42H,1,11-12,14-17,19-20,22-24H2,2-7H3/b10-9-,25-13+,26-18+/t27-,28-,29-,30+,31-,32+,33+,34-,35-,36-,37-,38+,39+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C39H60O8
Molecular Weight	656.8889
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:01:52 GMT 2023` Edited by `admin` on `Sat Dec 16 14:01:52 GMT 2023`
Record UNII	ECX1L89MFR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BREVENAL

Common Name

English

2,4-HEPTADIENAL, 7-((2S,3S,4AS,5AR,6AS,7AR,10S,11R,12AS,14AR,15AS,16S,17AR)-11-(3Z)-3,5-HEXADIEN-1-YLEICOSAHYDRO-10,16-DIHYDROXY-3,10,14A,17A-TETRAMETHYLOXEPINO(3,2-B)PYRANO(2'',3'':6',7')OXEPINO(2',3':5,6)PYRANO(2,3-F)OXEPIN-2-YL)-3,4-DIMETHYL-, (2E,4E)-

Systematic Name

English

(-)-BREVENAL

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

632318

Created by admin on Sat Dec 16 14:01:52 GMT 2023 , Edited by admin on Sat Dec 16 14:01:52 GMT 2023

Code System Code Type Description

FDA UNII

ECX1L89MFR

Created by admin on Sat Dec 16 14:01:52 GMT 2023 , Edited by admin on Sat Dec 16 14:01:52 GMT 2023

PRIMARY

CAS

776331-34-1

Created by admin on Sat Dec 16 14:01:52 GMT 2023 , Edited by admin on Sat Dec 16 14:01:52 GMT 2023

PRIMARY

PUBCHEM

15965874

Created by admin on Sat Dec 16 14:01:52 GMT 2023 , Edited by admin on Sat Dec 16 14:01:52 GMT 2023

PRIMARY

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BREVENAL

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