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(1R,2R,5R,6R,9R,10S,14S,19S)-2,5,10,14,18,18-hexamethyl-6-(propan-2-yl)pentacyclo[11.8.0.02,10.05,9.014,19]henicos-12-ene
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ChemBase ID:
156341
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Molecular Formular:
C30H50
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Molecular Mass:
410.718
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Monoisotopic Mass:
410.3912516
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SMILES and InChIs
SMILES:
CC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@]1([C@]2(CC=C2[C@@H]1CC[C@@H]1[C@@]2(CCCC1(C)C)C)C)C)C
Canonical SMILES:
CC([C@H]1CC[C@@H]2[C@]1(C)CC[C@]1([C@@]2(C)CC=C2[C@@H]1CC[C@@H]1[C@]2(C)CCCC1(C)C)C)C
InChI:
InChI=1S/C30H50/c1-20(2)21-10-13-25-28(21,6)18-19-29(7)23-11-12-24-26(3,4)15-9-16-27(24,5)22(23)14-17-30(25,29)8/h14,20-21,23-25H,9-13,15-19H2,1-8H3/t21-,23+,24+,25-,27-,28-,29-,30+/m1/s1
InChIKey:
ZHDRLFGZQZCZKX-BQOUFORSSA-N
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Cite this record
CBID:156341 http://www.chembase.cn/molecule-156341.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(1R,2R,5R,6R,9R,10S,14S,19S)-2,5,10,14,18,18-hexamethyl-6-(propan-2-yl)pentacyclo[11.8.0.02,10.05,9.014,19]henicos-12-ene
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IUPAC Traditional name
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Synonyms
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D:C-Friedo-B′:A′-neogammacer-9(11)-ene
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Fern-9(11)ene solution
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9(11)-羊齿烯 溶液
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CAS Number
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EC Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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0
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H Donor
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0
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LogD (pH = 5.5)
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8.620924
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LogD (pH = 7.4)
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8.620924
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Log P
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8.620924
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Molar Refractivity
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130.4653 cm3
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Polarizability
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52.20391 Å3
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Polar Surface Area
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0.0 Å2
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Rotatable Bonds
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1
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent