3,7,12-Trihydroxycoprostanoic acid
CAS number: 547-98-8
Synonyms:
3α,7α,12α-Trihydroxycoprostanic acid, (3α,5β,7α,12α)-3,7,12-Trihydroxycholestan-26-oic acid, 3α,7α
Identifiers
CAS Index Name:
Cholestan-26-oic acid, 3,7,12-trihydroxy-, (3α,5β,7α,12α)-
Molecular formula:
C27H46O5
Molecular weight:
450.65
Smiles:
O=C(O)C(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
Isomeric Smiles:
OC1C2(C3(C(C)(C(C(CCCC(C(O)=O)C)C)(CC3)[H])C(O)CC2(C4(C)C(C1)(CC(O)CC4)[H])[H])[H])[H]
InChI:
InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16?,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey:
InChIKey=CNWPIIOQKZNXBB-VCVMUKOKSA-N
Product information
Purity:
>98%
Storage:
Freezer
Supplied as:
Neat
Physical state:
Solid
Documentation:
Certificate of Analysis
MSDS:
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65-1050 | 3,7,12-Trihydroxycoprostanoic acid - 1 mg |