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Structure

7-[(2-Hydroxyphenyl)methyl-methylamino]-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one

CAS
16892-03-8
Catalog Number
ACM16892038
Category
Other Products
Molecular Weight
477.549 g/mol
Molecular Formula
C28H31NO6

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Specification

Synonyms
Speciosine, AC1L76CV, Oprea1_802014, CHEMBL314457, MolPort-002-507-067, BB_NC-0494, 16892-03-8, NSC317021, AKOS002141362, MCULE-9385728684, NSC-317021, (7S)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one, (S)-7-((2-hydroxybenzyl)(methyl)amino)-1,2,3,10-tetramethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one
IUPAC Name
(7S)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
Canonical SMILES
CN(CC1=CC=CC=C1O)C2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)OC)OC)OC)OC
InChI Key
SOFSXTKPGSIDCI-NRFANRHFSA-N
Boiling Point
720.4ºC at 760 mmHg
Flash Point
389.5ºC
Density
1.27g/cm³
Exact Mass
477.21500
H-Bond Acceptor
7
H-Bond Donor
1
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