
 83002-04-4

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    8.6065    2.2710    0.0481 H   0  0  0  0  0
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M  END

>  <Chemical Name>
83002-04-4

>  <PubChem CID>
5311056

>  <Formula>
C24H40O3

>  <Molecular Weight>
376.581000

>  <IUPAC Name>
2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol

>  <XlogP>
6.100

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCC2CCCO)O)O

>  <Isomeric SMILES>
CCCCCCC(C)(C)C1=CC(=C(C=C1)[C@H]2C[C@H](CC[C@@H]2CCCO)O)O

>  <InChI Std. ID>
InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m0/s1

>  <InChI Key>
YNZFFALZMRAPHQ-VCOUNFBDSA-N

