13845-06-2 Purity
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Specification
The molecular formula of 17Alpha(H),21alpha(H)-hopane is C30H52.
17Alpha(H),21alpha(H)-hopane was created on 2005-08-08 and last modified on 2023-12-30 in PubChem.
The molecular weight of 17Alpha(H),21alpha(H)-hopane is 412.7 g/mol.
The IUPAC name of 17Alpha(H),21alpha(H)-hopane is 5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene.
The InChI of 17Alpha(H),21alpha(H)-hopane is InChI=1S/C30H52/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h20-25H,9-19H2,1-8H3.
The InChIKey of 17Alpha(H),21alpha(H)-hopane is ZRLNBWWGLOPJIC-UHFFFAOYSA-N.
The Canonical SMILES of 17Alpha(H),21alpha(H)-hopane is CC(C)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCCC5(C)C)C)C)C)C.
The CAS number of 17Alpha(H),21alpha(H)-hopane is 1176-44-9.
There are 0 hydrogen bond donor counts in 17Alpha(H),21alpha(H)-hopane.
There is 1 rotatable bond count in 17Alpha(H),21alpha(H)-hopane.