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Cholest-5-en-3-ol (3b)-, 3-(hydrogen sulfate),potassium salt (1:1) (6614-96-6)

Identification
Name:Cholest-5-en-3-ol (3b)-, 3-(hydrogen sulfate),potassium salt (1:1)
Synonyms:Cholest-5-en-3-ol(3b)-, hydrogen sulfate, potassiumsalt (9CI);Cholesterol, hydrogen sulfate, potassium salt (8CI);Cholesterylpotassium sulfate (6CI,7CI);Cholesterol 3-O-(hydrogen sulfate) potassium salt;Cholesterol sulfate potassium salt;Cholesteryl sulfate potassium salt;Potassium cholesterol sulfate;
CAS:6614-96-6
Molecular Formula: C27H45KO4S
Molecular Weight: 504.81
InChI: InChI=1/C54H90O4S.K/c1-35(2)13-11-15-37(5)45-21-23-47-43-19-17-39-33-41(25-29-51(39,7)49(43)27-31-53(45,47)9)57-59(55,56)58-42-26-30-52(8)40(34-42)18-20-44-48-24-22-46(38(6)16-12-14-36(3)4)54(48,10)32-28-50(44)52;/h17-18,35-38,41-50H,11-16,19-34H2,1-10H3;/q;+1/t37-,38-,41+,42+,43+,44+,45-,46-,47+,48+,49+,50+,51+,52+,53-,54-;/m1./s1
Molecular Structure: (C27H45KO4S) Cholest-5-en-3-ol(3b)-, hydrogen sulfate, potassiumsalt (9CI);Cholesterol, hydrogen sulfate, potassi...
Properties
Specification:

The Cholesteryl sulfate potassium salt, with CAS registry number 6614-96-6, has the systematic name of Potassium (8ξ,9ξ,14ξ)-cholest-5-en-3-yl sulfate. Besides this, it is also called cholest-5-en-3-ol, hydrogen sulfate, potassium salt, (8ξ,9ξ,14ξ)- (1:1). And the chemical formula of this chemical is C27H45KO4S.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CCC(C4)OS(=O)(=O)[O-])C)C.[K+]
(2)InChI: InChI=1/C27H46O4S.K/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5;/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30);/q;+1/p-1/t19-,21?,22?,23-,24?,25?,26+,27-;/m1./s1
(3)InChIKey: DXURYUGUMKTQBU-MVVVQXRVBB
(4)Std. InChI: InChI=1S/C27H46O4S.K/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5;/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30);/q;+1/p-1/t19-,21?,22?,23-,24?,25?,26+,27-;/m1./s1
(5)Std. InChIKey: DXURYUGUMKTQBU-ARGVXMBRSA-M

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