DH7

(6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene

Created:	2010-07-07
Last modified:	2021-03-01

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Chemical Details
Formal Charge	0
Atom Count	76
Chiral Atom Count	2
Bond Count	75
Aromatic Bond Count	0

2D diagram of DH7

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Chemical Component Summary
Name	(6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene
Synonyms	dehydrosqualene
Systematic Name (OpenEye OEToolkits)	(6E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene
Formula	C₃₀ H₄₆
Molecular Weight	406.686
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(=C(\C)CC\C=C(/C)CC\C=C(/C)C)=C\C=C=C(/C)CC/C=C(\C)CC\C=C(/C)C
SMILES	CACTVS	3.370	CC(C)=CCCC(C)=CCC[C](C)=[C]=[CH][CH]=[C]=[C](C)CCC=C(C)CCC=C(C)C
SMILES	OpenEye OEToolkits	1.7.0	CC(=CCCC(=CCCC(=C=CC=C=C(C)CCC=C(C)CCC=C(C)C)C)C)C
Canonical SMILES	CACTVS	3.370	CC(C)=CCCC(/C)=C/CC[C](C)=[C@@]=[CH][CH]=[C@]=[C](C)CC\C=C(/C)CCC=C(C)C
Canonical SMILES	OpenEye OEToolkits	1.7.0	CC(=CCC/C(=C/CCC(=C=CC=C=C(CC/C=C(/CCC=C(C)C)\C)C)C)/C)C
InChI	InChI	1.03	InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,15-16,23-24H,11-14,19-22H2,1-8H3/b29-23+,30-24+
InChIKey	InChI	1.03	PALVLARMLPXARO-HCTXVGCHSA-N

Related Resource References

Resource Name	Reference
PubChem	49866903

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