(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate

Compound number:
MolPort-002-507-345
CAS number: 79902-63-9
IUPAC:
(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
IUPAC traditional:
simvastatin
SMILES:
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |r,c:14,t:12|
InChI key:
RYMZZMVNJRMUDD-HGQWONQESA-N
Molecular formula:
C25H38O5
Molecular weight: 418.574

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50 mg July 3, 2019 212.40 USD
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200 mg July 5, 2019 167.56 USD
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25 mg July 5, 2019 114.00 USD
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100 mg July 5, 2019 267.60 USD
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Catalog: Screening compound Ships out: 7 business days Purity: 98.54%
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50 mg July 5, 2019 70.00 USD
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100 mg July 5, 2019 120.00 USD
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Catalog: Screening compound Ships out: 10 business days Purity: 90+% BY 1H NMR
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500 mg July 10, 2019 885.00 USD
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10 g July 3, 2019 48.96 USD
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Catalog: Building blocks Ships out: 10 business days Purity: 99.0
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50 g July 10, 2019 385.00 USD
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5 g July 10, 2019 2510.00 USD
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100 mg July 10, 2019 185.43 USD
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More Information

Compound Identifiers
Compound number: MolPort-002-507-345
CAS number: 79902-63-9

Names, Synonyms and 3rd Party Identifiers
Name: MFCD00072007
MFCD06407575
MFCD22631609
(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
(1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
2,2-Dimethyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester
2,2-Dimethyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester
8-[2-((2R,4R)-4-hydroxy-6-oxo(2H-3,4,5-trihydropyran-2-yl))ethyl](1S,7S,8S,3R, 8aR)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthyl 2,2-dimethylbutanoate
8-[2-(4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl 2,2-dimethylbutanoate
Colemin
Liponorm
MK 733
MK-0733
Simlup, Simcard, Simvacor, Simvoget, Zorced
Simvastadin
SIMVASTATIN
Simvastatin (Zocor)
Zocor, MK-733, Liponorm
Zocor, Simlup, Simcard, Simvacor, Simvoget

InChI
InChI: 1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
InChI key: RYMZZMVNJRMUDD-HGQWONQESA-N

Calculated Properties
Molecular formula: C25H38O5
Molecular weight: 418.574

Other

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2019 MolPort, v3.03, release date 21-06-2019 17:00 (+0200). All rights reserved.
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