9,10-SECOCHOLESTA-5,7,10(19)-TRIEN-23-ONE, 26,26,26,27,27,27-HEXAFLUORO-1,3,25-TRIHYDROXY-, (1.ALPHA.,3.BETA.,5Z,7E)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H36F6O4
Molecular Weight	538.5628
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 9,10-SECOCHOLESTA-5,7,10(19)-TRIEN-23-ONE, 26,26,26,27,27,27-HEXAFLUORO-1,3,25-TRIHYDROXY-, (1.ALPHA.,3.BETA.,5Z,7E)-

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)[C@H](C)CC(=O)CC(O)(C(F)(F)F)C(F)(F)F

InChI

InChIKey=INOVHHVTWDEGJE-BPWFBYSLSA-N

InChI=1S/C27H36F6O4/c1-15(11-20(35)14-25(37,26(28,29)30)27(31,32)33)21-8-9-22-17(5-4-10-24(21,22)3)6-7-18-12-19(34)13-23(36)16(18)2/h6-7,15,19,21-23,34,36-37H,2,4-5,8-14H2,1,3H3/b17-6+,18-7-/t15-,19-,21-,22+,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H36F6O4
Molecular Weight	538.5628
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:23:21 UTC 2023` Edited by `admin` on `Sat Dec 16 16:23:21 UTC 2023`
Record UNII	YB8IU8WOJ4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

9,10-SECOCHOLESTA-5,7,10(19)-TRIEN-23-ONE, 26,26,26,27,27,27-HEXAFLUORO-1,3,25-TRIHYDROXY-, (1.ALPHA.,3.BETA.,5Z,7E)-

Systematic Name

English

ST 233

Common Name

English

Code System Code Type Description

PUBCHEM

154731610

Created by admin on Sat Dec 16 16:23:21 UTC 2023 , Edited by admin on Sat Dec 16 16:23:21 UTC 2023

PRIMARY

FDA UNII

YB8IU8WOJ4

Created by admin on Sat Dec 16 16:23:21 UTC 2023 , Edited by admin on Sat Dec 16 16:23:21 UTC 2023

PRIMARY

CAS

167893-03-0

Created by admin on Sat Dec 16 16:23:21 UTC 2023 , Edited by admin on Sat Dec 16 16:23:21 UTC 2023

PRIMARY

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