PHTHALIC ACID TETRAHYDROABIETYL ALCOHOL DIESTER

Details

Stereochemistry	MIXED
Molecular Formula	C48H74O4
Molecular Weight	715.0988
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PHTHALIC ACID TETRAHYDROABIETYL ALCOHOL DIESTER

Structure Search

SMILES

CC(C)C1CC[C@H]2C(CC[C@H]3[C@](C)(COC(=O)C4=CC=CC=C4C(=O)OC[C@]5(C)CCC[C@]6(C)[C@H]7CCC(CC7CC[C@@H]56)C(C)C)CCC[C@]23C)C1

InChI

InChIKey=VLSXLXWSXZUGFV-VAFYREIDSA-N

InChI=1S/C48H74O4/c1-31(2)33-15-19-39-35(27-33)17-21-41-45(5,23-11-25-47(39,41)7)29-51-43(49)37-13-9-10-14-38(37)44(50)52-30-46(6)24-12-26-48(8)40-20-16-34(32(3)4)28-36(40)18-22-42(46)48/h9-10,13-14,31-36,39-42H,11-12,15-30H2,1-8H3/t33?,34?,35?,36?,39-,40-,41-,42-,45-,46-,47+,48+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C48H74O4
Molecular Weight	715.0988
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	8 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:06:56 GMT 2025` Edited by `admin` on `Mon Mar 31 22:06:56 GMT 2025`
Record UNII	G39A62TNH7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHTHALIC ACID, TETRAHYDROABIETYL ALCOHOL DIESTER

Preferred Name

English

PHTHALIC ACID TETRAHYDROABIETYL ALCOHOL DIESTER

Common Name

English

BIS(1-PHENANTHRENEMETHANOL, TETRADECAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-, (1R,4AR,4BS,10AR))- PHTHALIC ACID DISESTER

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80865816