Jump to:
loading...
Preferred Name

(S,S,S)-alpha-tocopherol
Synonyms

(2S)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol

(all-S)-alpha-tocopherol

(-)-alpha-tocopherol

(2S,4'S,8'S)-alpha-tocopherol

SSS-alpha-tocopherol

(2S)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol
Definitions

The (S,S,S)-stereoisomer of alpha-tocopherol.
ID

http://purl.obolibrary.org/obo/CHEBI_46430
charge

0
database_cross_reference

CAS:77171-97-2

Beilstein:6574814

Chemspider:1379386

PMID:12079380

PDBeChem:VIT

Reaxys:6574814

PMID:19663978

DrugBank:DB00163

PMID:19401234
definition

The (S,S,S)-stereoisomer of alpha-tocopherol.
formula

C29H50O2
has_exact_synonym

(2S)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol
has_obo_namespace

chebi_ontology
has_related_synonym

(all-S)-alpha-tocopherol

(-)-alpha-tocopherol

(2S,4'S,8'S)-alpha-tocopherol

SSS-alpha-tocopherol

(2S)-2,5,7,8-tetramethyl-2-[(4S,8S)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol
id

CHEBI:46430
in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR
inchi

InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m0/s1
inchikey

GVJHHUAWPYXKBD-SYZUXVNWSA-N
is enantiomer of

http://purl.obolibrary.org/obo/CHEBI_18145
label

(S,S,S)-alpha-tocopherol
mass

430.70610
monoisotopicmass

430.38108
notation

CHEBI:46430
prefLabel

(S,S,S)-alpha-tocopherol
smiles

CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1
treeView

http://purl.obolibrary.org/obo/CHEBI_22470
subClassOf

http://purl.obolibrary.org/obo/CHEBI_22470
Add comment
Add proposal
Delete Subject Author Type Created
No notes to display