3-[(2S,5S)-Tetrahydro-5-[(3R,5R)-6-iodo-5-methyl-3-[(methylsulfonyl)oxy]-6-hepten-1-yl]-4-methylene-2-furanyl]propyl 2,2-dimethylpropanoate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H37IO6S
Molecular Weight	556.495
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-[(2S,5S)-Tetrahydro-5-[(3R,5R)-6-iodo-5-methyl-3-[(methylsulfonyl)oxy]-6-hepten-1-yl]-4-methylene-2-furanyl]propyl 2,2-dimethylpropanoate

Structure Search

SMILES

C[C@H](C[C@@H](CC[C@@H]1O[C@@H](CCCOC(=O)C(C)(C)C)CC1=C)OS(C)(=O)=O)C(I)=C

InChI

InChIKey=DQUTUOTWNZIHRP-NMLACTOBSA-N

InChI=1S/C22H37IO6S/c1-15(17(3)23)13-19(29-30(7,25)26)10-11-20-16(2)14-18(28-20)9-8-12-27-21(24)22(4,5)6/h15,18-20H,2-3,8-14H2,1,4-7H3/t15-,18+,19-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H37IO6S
Molecular Weight	556.495
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:17:41 GMT 2023` Edited by `admin` on `Sat Dec 16 20:17:41 GMT 2023`
Record UNII	GQD8X56A7G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-[(2S,5S)-Tetrahydro-5-[(3R,5R)-6-iodo-5-methyl-3-[(methylsulfonyl)oxy]-6-hepten-1-yl]-4-methylene-2-furanyl]propyl 2,2-dimethylpropanoate

Systematic Name

English

Propanoic acid, 2,2-dimethyl-, 3-[(2S,5S)-tetrahydro-5-[(3R,5R)-6-iodo-5-methyl-3-[(methylsulfonyl)oxy]-6-heptenyl]-4-methylene-2-furanyl]propyl ester

Systematic Name

English

Code System Code Type Description

FDA UNII

GQD8X56A7G

Created by admin on Sat Dec 16 20:17:41 GMT 2023 , Edited by admin on Sat Dec 16 20:17:41 GMT 2023

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PUBCHEM

11284336

Created by admin on Sat Dec 16 20:17:41 GMT 2023 , Edited by admin on Sat Dec 16 20:17:41 GMT 2023

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CAS

141120-28-7

Created by admin on Sat Dec 16 20:17:41 GMT 2023 , Edited by admin on Sat Dec 16 20:17:41 GMT 2023

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