Structural formula of 3,7-Dihydroxycoprostanic acid-D3

3,7-Dihydroxycoprostanic acid-D3

Product number: 71-6502
CAS number: 338976-76-4

Identifiers

CAS Index Name: Cholestan-26-oic-27,27,27-d3 acid, 3,7-dihydroxy-, (3α,5β,7α)-
Molecular formula: C27H43D3O4
Molecular weight: 437.67
Smiles: O=C(O)C(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
Isomeric Smiles: CC12C(C3(C(C4(C)C(CC3O)(CC(O)CC4)[H])(CC1)[H])[H])(CCC2(C(CCCC(C(O)=O)C([2H])([2H])[2H])C)[H])[H]
InChI: InChI=1S/C27H46O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/t16-,17?,18+,19-,20-,21+,22+,23-,24+,26+,27-/m1/s1/i2D3
InChIKey: InChIKey=ITZYGDKGRKKBSN-WNOXKDKUSA-N

Product information

Purity: >98%
Storage: Freezer
Supplied as: Neat
Physical state: Solid
Documentation: Certificate of Analysis
MSDS: Ask for MSDS

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