DI(DEHYDROABIETYL)AMINE ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H59N.C2H4O2
Molecular Weight	613.9551
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DI(DEHYDROABIETYL)AMINE ACETATE

Structure Search

SMILES

CC(O)=O.[H][C@@]12CCC3=CC(=CC=C3[C@@]1(C)CCC[C@@]2(C)CNC[C@]4(C)CCC[C@]5(C)C6=CC=C(C=C6CC[C@@]45[H])C(C)C)C(C)C

InChI

InChIKey=SETIUTJHVNMKFM-TUICDNFPSA-N

InChI=1S/C40H59N.C2H4O2/c1-27(2)29-11-15-33-31(23-29)13-17-35-37(5,19-9-21-39(33,35)7)25-41-26-38(6)20-10-22-40(8)34-16-12-30(28(3)4)24-32(34)14-18-36(38)40;1-2(3)4/h11-12,15-16,23-24,27-28,35-36,41H,9-10,13-14,17-22,25-26H2,1-8H3;1H3,(H,3,4)/t35-,36-,37-,38-,39+,40+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C40H59N
Molecular Weight	553.9032
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:48:20 GMT 2023` Edited by `admin` on `Sat Dec 16 09:48:20 GMT 2023`
Record UNII	000360VJE1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DI(DEHYDROABIETYL)AMINE ACETATE

Common Name

English

1-PHENANTHRENEMETHANAMINE, 1,2,3,4,4A,9,10,10A-OCTAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-N-((1,2,3,4,4A,9,10,10A-OCTAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-1-PHENANTHRENYL)METHYL)-, (1R-(1.ALPHA.(1R*,4AS*,10AR*),4A.BETA.,10A.ALPHA.))-, ACETATE

Systematic Name

English

Code System Code Type Description

CAS

53404-27-6

Created by admin on Sat Dec 16 09:48:20 GMT 2023 , Edited by admin on Sat Dec 16 09:48:20 GMT 2023

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EPA CompTox

DTXSID50109138

Created by admin on Sat Dec 16 09:48:20 GMT 2023 , Edited by admin on Sat Dec 16 09:48:20 GMT 2023

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FDA UNII

000360VJE1

Created by admin on Sat Dec 16 09:48:20 GMT 2023 , Edited by admin on Sat Dec 16 09:48:20 GMT 2023

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PUBCHEM

76969106

Created by admin on Sat Dec 16 09:48:20 GMT 2023 , Edited by admin on Sat Dec 16 09:48:20 GMT 2023

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