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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(3S,6S,11S,12S,16S,21S)-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(15)-ene , (3S,6S,11S,12S,16S,21S)-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(15)-ene
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| Smiles: |
CC1(C)CCC[C@]2([C@H]1CCC1=C2CC[C@H]2[C@@](C1)(C)CC[C@@H]1[C@]2(C)CCCC1(C)C)C
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| InChi : |
InChI=1S/C30H50/c1-26(2)15-8-17-29(6)22-11-13-25-28(5,20-21(22)10-12-23(26)29)19-14-24-27(3,4)16-9-18-30(24,25)7/h23-25H,8-20H2,1-7H3/t23-,24-,25-,28-,29+,30-/m0/s1
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| InChi Key : |
InChIKey=NKAHFZSRDZCLOH-LLYHLBQQSA-N
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| PubChem ID : |
12304467
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| Rotatable bond count : |
0
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
0
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Ionization potential : |
8.654627
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.181
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| XLogP : |
13.469
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VDW volume : |
463.017245
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| Molecular weight : |
410.391252
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HOMO-LUMO gap : |
10.253000
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| Herb list : |
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| Refrences & Litretures: |
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