Mycotrienin I

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H48N2O8
Molecular Weight	636.7749
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@@H]1CC(=O)NC2=CC(=O)C=C(CCC=C(C)[C@H](O)[C@@H](C)[C@H](C\C=C\C=C\C=C\1)OC(=O)[C@@H](C)NC(=O)C3CCCCC3)C2=O

InChI

InChIKey=WWUVMHRJRCRFSL-UOZMSBJPSA-N

InChI=1S/C36H48N2O8/c1-23-14-13-17-27-20-28(39)21-30(34(27)42)38-32(40)22-29(45-4)18-11-6-5-7-12-19-31(24(2)33(23)41)46-36(44)25(3)37-35(43)26-15-9-8-10-16-26/h5-7,11-12,14,18,20-21,24-26,29,31,33,41H,8-10,13,15-17,19,22H2,1-4H3,(H,37,43)(H,38,40)/b6-5+,12-7+,18-11+,23-14-/t24-,25+,29-,31-,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C36H48N2O8
Molecular Weight	636.7749
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:10:49 GMT 2025` Edited by `admin` on `Mon Mar 31 22:10:49 GMT 2025`
Record UNII	SHY5SUJ2TC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Mycotrienin I

Common Name

English

SDZ-115-961

Preferred Name

English

D-Alanine, N-(cyclohexylcarbonyl)-, (5R,6E,8E,10E,13S,14R,15R,16Z)-15-hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-6,8,10,16,20,23-hexaen-13-yl ester

Systematic Name

English

(+)-Mycotrienin I

Common Name

English

[(5R,6E,8E,10E,13S,14R,15R,16Z)-15-Hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate

Systematic Name

English

SDZ115-961

Code

English

Ansatrienine A

Common Name

English

Code System Code Type Description

PUBCHEM

5282069

Created by admin on Mon Mar 31 22:10:49 GMT 2025 , Edited by admin on Mon Mar 31 22:10:49 GMT 2025

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EPA CompTox

DTXSID101098772

Created by admin on Mon Mar 31 22:10:49 GMT 2025 , Edited by admin on Mon Mar 31 22:10:49 GMT 2025

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FDA UNII

SHY5SUJ2TC

Created by admin on Mon Mar 31 22:10:49 GMT 2025 , Edited by admin on Mon Mar 31 22:10:49 GMT 2025

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CAS

82189-03-5

Created by admin on Mon Mar 31 22:10:49 GMT 2025 , Edited by admin on Mon Mar 31 22:10:49 GMT 2025

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