.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (1S)-1-((2R)-2-((1R,3AS,4E,7AR)-4-((2Z)-((3S,5R)-3,5-DIHYDROXY-2-METHYLENECYCLOHEXYLIDENE)ETHYLIDENE)OCTAHYDRO-7A-METHYL-1H-INDEN-1-YL)PROPYL)-4,4,4-TRIFLUORO-3-HYDROXY-3-(TRIFLUOROMETHYL)BUTYL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H46F6O10
Molecular Weight	716.7028
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, (1S)-1-((2R)-2-((1R,3AS,4E,7AR)-4-((2Z)-((3S,5R)-3,5-DIHYDROXY-2-METHYLENECYCLOHEXYLIDENE)ETHYLIDENE)OCTAHYDRO-7A-METHYL-1H-INDEN-1-YL)PROPYL)-4,4,4-TRIFLUORO-3-HYDROXY-3-(TRIFLUOROMETHYL)BUTYL

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)C[C@@H](CC(O)(C(F)(F)F)C(F)(F)F)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O

InChI

InChIKey=DMAGYPMEWXALQN-CEFXGTGVSA-N

InChI=1S/C33H46F6O10/c1-15(21-8-9-22-17(5-4-10-30(21,22)3)6-7-18-12-19(40)13-23(41)16(18)2)11-20(14-31(47,32(34,35)36)33(37,38)39)48-29-26(44)24(42)25(43)27(49-29)28(45)46/h6-7,15,19-27,29,40-44,47H,2,4-5,8-14H2,1,3H3,(H,45,46)/b17-6+,18-7-/t15-,19-,20+,21-,22+,23+,24+,25+,26-,27+,29-,30-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (1S)-1-((2R)-2-((1R,3AS,4E,7AR)-4-((2Z)-((3S,5R)-3,5-DIHYDROXY-2-METHYLENECYCLOHEXYLIDENE)ETHYLIDENE)OCTAHYDRO-7A-METHYL-1H-INDEN-1-YL)PROPYL)-4,4,4-TRIFLUORO-3-HYDROXY-3-(TRIFLUOROMETHYL)BUTYL

Systematic Name

English

Code System Code Type Description

PUBCHEM

154731641

Created by admin on Sat Dec 16 16:50:06 GMT 2023 , Edited by admin on Sat Dec 16 16:50:06 GMT 2023

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CAS

850181-36-1

Created by admin on Sat Dec 16 16:50:06 GMT 2023 , Edited by admin on Sat Dec 16 16:50:06 GMT 2023

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FDA UNII