Chemical ID: 7236035

CC12CCC(C(C1C=C(C(=O)C2)C(C)(C)O)(C)O)O
Chemical ID:
7236035
Name [?]:
5,6-dihydroxy-3-(1-hydroxy-1-methyl-ethyl)-5,8a-dimethyl-4a,6,7,8-tetrahydro-1H-naphthalen-2-one
SMILES [?]:
CC12CCC(C(C1C=C(C(=O)C2)C(C)(C)O)(C)O)O
InChi [?]:
InChI=1/C15H24O4/c1-13(2,18)9-7-11-14(3,8-10(9)16)6-5-12(17)15(11,4)19/h7,11-12,17-19H,5-6,8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:14,15,1,17,4,3,8,12,9,10,7,5,13,2,6,11,19,16,18/E:(1,2)/rA:19cCCCCCCCCCCOCCCCOCOO/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s9;d10;s2s10;s9;s13;s13;s13;s6;s6;s5;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24O4
All Atoms:43
Heavy Atoms:19
Chiral Atoms:None
ZAP Information [?]
Total:6.30403
Area:420.803
Solvation:-4.21606
Coulombic:-59.0992
Bond Count [?]
All:20
Single:18
Double:2
Rotors:1
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.66
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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