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

Compound number:
MolPort-002-507-136
CAS number: 3464-50-4
IUPAC:
(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl 2-chloroacetate
IUPAC traditional:
(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl 2-chloroacetate
SMILES:
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCl |r,t:14|
InChI key:
XUXXPLDKUZSGKH-OHPSOFBHSA-N
Molecular formula:
C29H47ClO2
Molecular weight: 463.14

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: 95
Last updated: > 3 months ago In warehouse: 970.00 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: 140.00 USD
S&H to World: 180.00 USD

Supplier Catalogue Data


Catalog: Building blocks Ships out: 10 business days Purity: >95%
Last updated: > 3 months ago In warehouse: Unverified
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500 mg September 6, 2019 75.00 USD
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1 g September 6, 2019 130.00 USD
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5 g September 6, 2019 320.00 USD
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S&H to USA: 140.00 USD
S&H to World: 180.00 USD

Supplier Catalogue Data


Catalog: Building blocks Ships out: 10 business days Purity: n/a
Last updated: > 3 months ago In warehouse: Unverified
Pack size Ships out Price Qty
500 mg September 6, 2019 60.00 USD
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1 g September 6, 2019 100.00 USD
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5 g September 6, 2019 255.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-002-507-136
CAS number: 3464-50-4

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000003881627
14-((1R)-1,5-dimethylhexyl)(1S,5S,10S,11S,2R,14R,15R)-2,15-dimethyltetracyclo[ 8.7.0.0<2,7>.0<11,15>]heptadec-7-en-5-yl 2-chloroacetate
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 2-chloroacetate
cholest-5-ene-3-beta-yl chloroacetate
Cholesterol chloroacetate

InChI
InChI: 1S/C29H47ClO2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-27(31)18-30)13-15-28(21,4)26(23)14-16-29(24,25)5/h9,19-20,22-26H,6-8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,28+,29-/m1/s1
InChI key: XUXXPLDKUZSGKH-OHPSOFBHSA-N

Calculated Properties
Molecular formula: C29H47ClO2
Molecular weight: 463.14

Other

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