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9-(1-Ethenyl-4-Hydroxy-1,5-Dimethyl-5-Hexenyl)-1,2,4,5,6,8-Hexahydro-5-(Hydroxymethyl)-1-Methyl-2-(1-Methylethyl)-3H-Pyrrolo(4,3,2-gh)-1,4-Benzodiazonin-3-One
[CAS# 133084-52-3]

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CAS#: 133084-52-3
Product: 9-(1-Ethenyl-4-Hydroxy-1,5-Dimethyl-5-Hexenyl)-1,2,4,5,6,8-Hexahydro-5-(Hydroxymethyl)-1-Methyl-2-(1-Methylethyl)-3H-Pyrrolo(4,3,2-gh)-1,4-Benzodiazonin-3-One
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Identification
Name 9-(1-Ethenyl-4-Hydroxy-1,5-Dimethyl-5-Hexenyl)-1,2,4,5,6,8-Hexahydro-5-(Hydroxymethyl)-1-Methyl-2-(1-Methylethyl)-3H-Pyrrolo(4,3,2-gh)-1,4-Benzodiazonin-3-One
Synonyms Lyngbyatoxin B
Molecular Structure CAS#: 133084-52-3, 9-(1-Ethenyl-4-Hydroxy-1,5-Dimethyl-5-Hexenyl)-1,2,4,5,6,8-Hexahydro-5-(Hydroxymethyl)-1-Methyl-2-(1-Methylethyl)-3H-Pyrrolo(4,3,2-gh)-1,4-Benzodiazonin-3-One
Molecular Formula C27H39N3O3
Molecular Weight 453.62
CAS Registry Number 133084-52-3
SMILES C1=C(C3=C2C(=C1)N(C(C(=O)NC(CC2=C[NH]3)CO)C(C)C)C)C(CCC(O)C(=C)C)(C=C)C
InChI 1S/C27H39N3O3/c1-8-27(6,12-11-22(32)16(2)3)20-9-10-21-23-18(14-28-24(20)23)13-19(15-31)29-26(33)25(17(4)5)30(21)7/h8-10,14,17,19,22,25,28,31-32H,1-2,11-13,15H2,3-7H3,(H,29,33)
InChIKey RLQWNZUFDRUTMZ-UHFFFAOYSA-N
Properties
Density 1.101g/cm3 (Cal.)
Boiling point 708.174°C at 760 mmHg (Cal.)
Flash point 382.09°C (Cal.)
Market Analysis Reports
List of Reports Available for 9-(1-Ethenyl-4-Hydroxy-1,5-Dimethyl-5-Hexenyl)-1,2,4,5,6,8-Hexahydro-5-(Hydroxymethyl)-1-Methyl-2-(1-Methylethyl)-3H-Pyrrolo(4,3,2-gh)-1,4-Benzodiazonin-3-One
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