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(1R,2S,5R,6S,14S)-6-ethyl-1,2,5,14,18,18-hexamethylpentacyclo[11.8.0.02,10.05,9.014,19]henicos-9-ene
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ChemBase ID:
156892
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Molecular Formular:
C29H48
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Molecular Mass:
396.69142
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Monoisotopic Mass:
396.37560154
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SMILES and InChIs
SMILES:
CC[C@H]1CCC2=C3CCC4[C@]5(CCCC(C5CC[C@]4([C@@]3(CC[C@]12C)C)C)(C)C)C
Canonical SMILES:
CC[C@H]1CCC2=C3[C@](CC[C@]12C)(C)[C@]1(C)CCC2[C@](C1CC3)(C)CCCC2(C)C
InChI:
InChI=1S/C29H48/c1-8-20-10-11-21-22-12-13-24-27(5)16-9-15-25(2,3)23(27)14-17-29(24,7)28(22,6)19-18-26(20,21)4/h20,23-24H,8-19H2,1-7H3/t20-,23?,24?,26+,27-,28+,29+/m0/s1
InChIKey:
VMOPXFUKKSSVEI-DRDIYDORSA-N
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Cite this record
CBID:156892 http://www.chembase.cn/molecule-156892.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(1R,2S,5R,6S,14S)-6-ethyl-1,2,5,14,18,18-hexamethylpentacyclo[11.8.0.02,10.05,9.014,19]henicos-9-ene
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IUPAC Traditional name
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(1R,2S,5R,6S,14S)-6-ethyl-1,2,5,14,18,18-hexamethylpentacyclo[11.8.0.02,10.05,9.014,19]henicos-9-ene
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Synonyms
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B′:A′-Neo-30-norgammacer-13(18)-ene
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30-Norneohop-13(18)-ene solution
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B′:A′-新-30-去甲伽马蜡-13(18)-烯
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30-去甲新何帕-13(18)-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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8.290247
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LogD (pH = 7.4)
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8.290247
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Log P
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8.290247
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Molar Refractivity
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125.6501 cm3
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Polarizability
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50.35701 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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PATENTS
PATENTS
PubChem Patent
Google Patent