(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-4-oxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate

Compound number:
MolPort-006-112-402
CAS number: 809-51-8
IUPAC:
(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-4-oxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate
IUPAC traditional:
(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-4-oxo-1H,2H,3H,3aH,3bH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl acetate
SMILES:
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3=O)OC(C)=O |c:27|
InChI key:
PMBSWZWCNKVWLV-OLVLZXMISA-N
Molecular formula:
C29H46O3
Molecular weight: 442.684

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: 95
Last updated: > 3 months ago In warehouse: 100.00 mg
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3 mg August 30, 2019 35.00 USD
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5 mg August 30, 2019 55.00 USD
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S&H to USA: 80.00 USD
S&H to World: 150.00 USD

Supplier Catalogue Data


Catalog: Screening compound Ships out: 10 business days Purity: n/a
Last updated: last month In warehouse: Unverified
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5 mg September 6, 2019 110.00 USD
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10 mg September 6, 2019 150.00 USD
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25 mg September 6, 2019 350.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-006-112-402
CAS number: 809-51-8

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000004742397
MFCD00021124
7-Ketocholesterol acetate
7-Oxo Cholesterol 3-Acetate

InChI
InChI: 1S/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3/t19-,22+,23-,24+,25+,27+,28+,29-/m1/s1
InChI key: PMBSWZWCNKVWLV-OLVLZXMISA-N

Calculated Properties
Molecular formula: C29H46O3
Molecular weight: 442.684

Other

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2019 MolPort, v3.11, release date 23-08-2019 16:00 (+0200). All rights reserved.
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