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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

IUPAC name:
(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexyl butanoate

Inventory

EC number:
250-567-5
EC name:
(3β,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-yl butyrate
CAS number:
31316-20-8
CAS number:
31316-20-8
Synonyms
Names:
(3beta,5z,7e)-9,10-secocholesta-5,7,10(19)-trien-3-yl_butyrate
Identifier:
IUPAC name
[(1R,3Z)-3-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] butanoate
9,10-secocholesta-5,7,10-trien-3-yl butyrate

Molecular and structural information

Molecular formula:
C31H50O2
Molecular weight:
454.728
SMILES notation:
CCCC(=O)O[C@@H]3C\C(=C\C=C2CCC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)CCCC(C)C)C(=C)CC3
InChl:
InChI=1/C31H50O2/c1-7-10-30(32)33-27-17-14-23(4)26(21-27)16-15-25-13-9-20-31(6)28(18-19-29(25)31)24(5)12-8-11-22(2)3/h15-16,22,24,27-29H,4,7-14,17-21H2,1-3,5-6H3
Structural formula:
Chemical structure

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