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3,9B-epoxy-9BH-benz[E]indene,dodecahydro-3,3A,6,6,9A- pentamethyl-
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| PHCD compound ID : |
1737
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| Chemical Names : |
3,9B-epoxy-9BH-benz[E]indene,dodecahydro-3,3A,6,6,9A- pentamethyl-
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| Molecular Formula : |
C18H30O1
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| Molecular Weight : |
262.229666
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More Details :
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| Names & Synonyms: |
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| Smiles: |
CC1(C)CCC[C@]2([C@H]1CC[C@@]1([C@@]32CC[C@@]1(O3)C)C)C
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| InChi : |
InChI=1S/C18H30O/c1-14(2)8-6-9-15(3)13(14)7-10-16(4)17(5)11-12-18(15,16)19-17/h13H,6-12H2,1-5H3/t13-,15-,16-,17-,18-/m0/s1
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| InChi Key : |
InChIKey=DBZUOZHCPCRRLC-HILJTLORSA-N
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| PubChem ID : |
539256
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| Rotatable bond count : |
0
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
1
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Ionization potential : |
9.481994
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
1.682
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| XLogP : |
5.973
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VDW volume : |
279.248574
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| Molecular weight : |
262.229666
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HOMO-LUMO gap : |
12.124000
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| Herb list : |
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| Refrences & Litretures: |
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