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7-Propyl spirolactone

Catalog Number: EVT-254240

CAS Number: 76676-33-0

Molecular Formula: C25H36O3

Molecular Weight: 384.6 g/mol

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Product Introduction

Description

7-Propyl spirolactone is a chemical compound that belongs to the class of spirolactones. It is a cyclic organic compound that contains a spirolactone ring and a propyl group attached to it. This compound has gained significant attention in the scientific community due to its potential therapeutic and environmental applications.

Properties

CAS Number

76676-33-0

Product Name

7-Propyl spirolactone

IUPAC Name

(7S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-7-propan-2-ylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione

Molecular Formula

C25H36O3

Molecular Weight

384.6 g/mol

InChI

InChI=1S/C25H36O3/c1-15(2)18-14-16-13-17(26)5-9-23(16,3)19-6-10-24(4)20(22(18)19)7-11-25(24)12-8-21(27)28-25/h13,15,18-20,22H,5-12,14H2,1-4H3/t18-,19-,20-,22+,23-,24-,25+/m0/s1

InChI Key

GIMMPTDKHYFNQT-BTRFTSHOSA-N

SMILES

CC(C)C1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C

Synonyms

(7α,17α)-17-Hydroxy-3-oxo-7-propylpregn-4-ene-21-carboxylic acid γ-lactone

Canonical SMILES

CC(C)C1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C

Isomeric SMILES

CC(C)[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C

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