(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-di(²H₃)methylbutanoate

Compound number:
MolPort-003-850-248
CAS number: 1002347-71-8
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-di(²H₃)methylbutanoate
IUPAC traditional:
(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-di(²H₃)methylbutanoate
SMILES:
[2H]C([2H])([2H])C(CC)(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)C([2H])([2H])[2H] |r,c:16,t:14|
InChI key:
RYMZZMVNJRMUDD-QDGXURMLSA-N
Molecular formula:
C25H38O5
Molecular weight: 424.611
Sample Reformatting

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: >98%
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1 mg October 1, 2019 174.64 USD
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Catalog: Screening compound Ships out: 10 business days Purity: n/a
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1 mg October 8, 2019 85.00 USD
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2.5 mg October 8, 2019 150.00 USD
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25 mg October 8, 2019 1200.00 USD
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Supplier Catalogue Data


Catalog: Screening compound Ships out: 20 business days Purity: >=99% deuterated forms (d1-d6); ?1% d0
Last updated: > 3 months ago In warehouse: Unverified
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1 mg October 22, 2019 239.54 USD
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5 mg October 22, 2019 816.56 USD
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10 mg October 22, 2019 1379.42 USD
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More Information

Compound Identifiers
Compound number: MolPort-003-850-248
CAS number: 1002347-71-8

Names, Synonyms and 3rd Party Identifiers
2,2-di(methyl-d3)-(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, butanoic acid
Simvastatin - d6
Simvastatin-d6

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/i4D3,5D3
InChI key: RYMZZMVNJRMUDD-QDGXURMLSA-N

Calculated Properties
Molecular formula: C25H38O5
Molecular weight: 424.611

Other

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2019 MolPort, v3.17, release date 23-09-2019 12:00 (+0200). All rights reserved.
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