U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C85H124O8
Molecular Weight 1273.8893
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTAERYTHRITYL TETRAABIETATE

SMILES

[H][C@]12CCC(=CC1=CC[C@@]3([H])[C@@](C)(CCC[C@]23C)C(=O)OCC(COC(=O)[C@]4(C)CCC[C@]5(C)[C@@]6([H])CCC(=CC6=CC[C@@]45[H])C(C)C)(COC(=O)[C@]7(C)CCC[C@]8(C)[C@@]9([H])CCC(=CC9=CC[C@@]78[H])C(C)C)COC(=O)[C@]%10(C)CCC[C@]%11(C)[C@@]%12([H])CCC(=CC%12=CC[C@@]%10%11[H])C(C)C)C(C)C

InChI

InChIKey=BQSWWPVLPPRSPJ-FIKIKMCASA-N
InChI=1S/C85H124O8/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/h25-28,45-48,53-56,65-72H,17-24,29-44,49-52H2,1-16H3/t65-,66-,67-,68-,69+,70+,71+,72+,77+,78+,79+,80+,81+,82+,83+,84+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PENTAERYTHRITYL TETRAABIETATE
INCI  
INCI  
Official Name English
PENTALYN H
Brand Name English
PENTAERYTHRITOL TETRAABIETATE
Common Name English
PENTAERYTHRITYL TETRAABIETATE [INCI]
Common Name English
1-PHENANTHRENECARBOXYLIC ACID, 1,2,3,4,4A,4B,5,6,10,10A-DECAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-, 2,2-BIS((((1,2,3,4,4A,4B,5,6,10,10A-DECAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-1-PHENANTHRENYL)CARBONYL)OXY)METHYL)-1,3-PROPANEDIYL ESTER, STEREOISOMER
Common Name English
PENTAERYTHRITOL, TETRAABIETATE
Common Name English
PODOCARPA-8,12-DIEN-15-OIC ACID, 13-ISOPROPYL-, NEOPENTANETETRAYL ESTER
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID501021771
Created by admin on Sat Dec 16 20:01:07 GMT 2023 , Edited by admin on Sat Dec 16 20:01:07 GMT 2023
PRIMARY
FDA UNII
VF71DNS70H
Created by admin on Sat Dec 16 20:01:07 GMT 2023 , Edited by admin on Sat Dec 16 20:01:07 GMT 2023
PRIMARY
CAS
127-23-1
Created by admin on Sat Dec 16 20:01:07 GMT 2023 , Edited by admin on Sat Dec 16 20:01:07 GMT 2023
PRIMARY
PUBCHEM
164541
Created by admin on Sat Dec 16 20:01:07 GMT 2023 , Edited by admin on Sat Dec 16 20:01:07 GMT 2023
PRIMARY
ECHA (EC/EINECS)
204-830-6
Created by admin on Sat Dec 16 20:01:07 GMT 2023 , Edited by admin on Sat Dec 16 20:01:07 GMT 2023
PRIMARY