TACHYSTEROL 4-METHYL-3,5-DINITROBENZOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H48N2O6
Molecular Weight	604.7761
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of TACHYSTEROL 4-METHYL-3,5-DINITROBENZOATE

Structure Search

SMILES

CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C(\C=C\C3=C(C)CC[C@@H](C3)OC(=O)C4=CC(=C(C)C(=C4)[N+]([O-])=O)[N+]([O-])=O)=CCC[C@]12C

InChI

InChIKey=TUNDAGPFKZHDGR-DDIZODPVSA-N

InChI=1S/C36H48N2O6/c1-22(2)23(3)10-11-25(5)31-16-17-32-27(9-8-18-36(31,32)7)13-14-28-19-30(15-12-24(28)4)44-35(39)29-20-33(37(40)41)26(6)34(21-29)38(42)43/h9-11,13-14,20-23,25,30-32H,8,12,15-19H2,1-7H3/b11-10+,14-13+/t23-,25+,30-,31+,32-,36+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

TACHYSTEROL 4-METHYL-3,5-DINITROBENZOATE

Common Name

English

P-TOLUIC ACID, 3,5-DINITRO-, ESTER WITH TACHYSTEROL

Preferred Name

English

9,10-SECOERGOSTA-5(10),6,8,22-TETRAEN-3-OL, 4-METHYL-3,5-DINITROBENZOATE, (3.BETA.,6E,22E)-

Systematic Name

English

TACHYSTEROL2, 3,5-DINITRO-P-TOLUATE

Common Name

English

TACHYSTEROL 4-METHYL-3,5-DINITROBENZOATE [MI]

Common Name

English

Code System Code Type Description

FDA UNII

J297814V3C

Created by admin on Mon Mar 31 22:43:50 GMT 2025 , Edited by admin on Mon Mar 31 22:43:50 GMT 2025

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PUBCHEM

86278161

Created by admin on Mon Mar 31 22:43:50 GMT 2025 , Edited by admin on Mon Mar 31 22:43:50 GMT 2025

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MERCK INDEX

m10423

Created by admin on Mon Mar 31 22:43:50 GMT 2025 , Edited by admin on Mon Mar 31 22:43:50 GMT 2025

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Merck Index

CAS

6024-60-8

Created by admin on Mon Mar 31 22:43:50 GMT 2025 , Edited by admin on Mon Mar 31 22:43:50 GMT 2025

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SUBSTANCE RECORD


					J297814V3C

TACHYSTEROL 4-METHYL-3,5-DINITROBENZOATE