Isolithocholic acid
CAS number: 1534-35-6
Synonyms:
5β-Cholanic acid-3β-ol, 3β-Hydroxy-5β-cholan-24-oic acid, 3-Epilithocholic acid, Isolithocholic acid
Identifiers
CAS Index Name:
Cholan-24-oic acid, 3-hydroxy-, (3β,5β)-
Molecular formula:
C24H40O3
Molecular weight:
376.57
Smiles:
O=C(O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
Isomeric Smiles:
CC12C(C3(C(C4(C)C(CC3)(CC(O)CC4)[H])(CC1)[H])[H])(CCC2(C(CCC(O)=O)C)[H])[H]
InChI:
InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17+,18+,19-,20+,21+,23+,24-/m1/s1
InChIKey:
InChIKey=SMEROWZSTRWXGI-WFVDQZAMSA-N
Product information
Purity:
>99%
Storage:
Freezer
Supplied as:
Neat
Physical state:
Solid
Documentation:
Certificate of Analysis
MSDS:
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| 65-1101-5 | Isolithocholic acid - 10 mg | 380.00 € |