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Chemical ID: 7236035
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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