PENTAERYTHRITYL TETRA(TETRAHYDROABIETATE)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C85H140O8
Molecular Weight	1290.0163
Optical Activity	UNSPECIFIED
Defined Stereocenters	24 / 24
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PENTAERYTHRITYL TETRA(TETRAHYDROABIETATE)

Structure Search

SMILES

[H][C@@]12CC[C@@]3([H])[C@@](C)(CCC[C@]3(C)[C@@]1([H])CC[C@H](C2)C(C)C)C(=O)OCC(COC(=O)[C@]4(C)CCC[C@]5(C)[C@@]6([H])CC[C@H](C[C@]6([H])CC[C@@]45[H])C(C)C)(COC(=O)[C@]7(C)CCC[C@]8(C)[C@@]9([H])CC[C@H](C[C@]9([H])CC[C@@]78[H])C(C)C)COC(=O)[C@]%10(C)CCC[C@]%11(C)[C@@]%12([H])CC[C@H](C[C@]%12([H])CC[C@@]%10%11[H])C(C)C

InChI

InChIKey=RZEQAJUKTZPSAD-LQSPRSPPSA-N

InChI=1S/C85H140O8/c1-53(2)57-21-29-65-61(45-57)25-33-69-77(65,9)37-17-41-81(69,13)73(86)90-49-85(50-91-74(87)82(14)42-18-38-78(10)66-30-22-58(54(3)4)46-62(66)26-34-70(78)82,51-92-75(88)83(15)43-19-39-79(11)67-31-23-59(55(5)6)47-63(67)27-35-71(79)83)52-93-76(89)84(16)44-20-40-80(12)68-32-24-60(56(7)8)48-64(68)28-36-72(80)84/h53-72H,17-52H2,1-16H3/t57-,58-,59-,60-,61+,62+,63+,64+,65+,66+,67+,68+,69-,70-,71-,72-,77-,78-,79-,80-,81-,82-,83-,84-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C85H140O8
Molecular Weight	1290.0163
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	24 / 24
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:52:06 GMT 2023` Edited by `admin` on `Sat Dec 16 01:52:06 GMT 2023`
Record UNII	U0EIN38F14
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PENTAERYTHRITYL TETRA(TETRAHYDROABIETATE)

Common Name

English

1-PHENANTHRENECARBOXYLIC ACID, TETRADECAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-, 2,2-BIS((((TETRADECAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-1-PHENANTHRENYL)CARBONYL)OXY)METHYL)-1,3-PROPANEDIYL ESTER, STEREOISOMER

Systematic Name

English

Code System Code Type Description

FDA UNII

U0EIN38F14

Created by admin on Sat Dec 16 01:52:06 GMT 2023 , Edited by admin on Sat Dec 16 01:52:06 GMT 2023

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PUBCHEM

124081838

Created by admin on Sat Dec 16 01:52:06 GMT 2023 , Edited by admin on Sat Dec 16 01:52:06 GMT 2023

PRIMARY

CAS

122731-35-5

Created by admin on Sat Dec 16 01:52:06 GMT 2023 , Edited by admin on Sat Dec 16 01:52:06 GMT 2023

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