α-Naphthocyclinone

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α-Naphthocyclinone
Category Others
Catalog number BBF-05446
CAS 54826-93-6
Molecular Weight 666.58
Molecular Formula C33H30O15

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Specification

Synonyms 6,13-Methanonaphtho[2',3':5,6]cyclohepta[1,2-g]-2-benzopyran-9-butanoic acid, 6-(acetyloxy)-1,3,4,6,8,11,13,14-octahydro-β,7,10,12,15-pentahydroxy-3-(2-methoxy-2-oxoethyl)-1-methyl-8,11,14-trioxo-, (βR,1S,3R,6S,13R)-; alpha-Naphthocyclinone; (R)-4-((1S,3R,6S,13R)-6-acetoxy-7,8,12,15-tetrahydroxy-3-(2-methoxy-2-oxoethyl)-1-methyl-10,11,14-trioxo-1,3,4,6,10,11,13,14-octahydro-6,13-methanonaphtho[2',3':5,6]cyclohepta[1,2-g]isochromen-9-yl)-3-hydroxybutanoic acid; a-Naphthocyclinone
IUPAC Name (3R)-4-[(1S,6R,8S,13R)-1-acetyloxy-10,15,20,22-tetrahydroxy-6-(2-methoxy-2-oxoethyl)-8-methyl-12,17,18-trioxo-7-oxahexacyclo[11.10.1.02,11.04,9.014,23.016,21]tetracosa-2(11),3,9,14(23),15,19,21-heptaen-19-yl]-3-hydroxybutanoic acid
Canonical SMILES CC1C2=C(C3=C(C=C2CC(O1)CC(=O)OC)C4(CC(C3=O)C5=C4C(=C6C(=C5O)C(=O)C(=O)C(=C6O)CC(CC(=O)O)O)O)OC(=O)C)O
InChI InChI=1S/C33H30O15/c1-10-20-12(4-14(47-10)8-19(38)46-3)5-17-22(29(20)42)27(40)16-9-33(17,48-11(2)34)25-21(16)30(43)24-23(31(25)44)26(39)15(28(41)32(24)45)6-13(35)7-18(36)37/h5,10,13-14,16,35,39,42-44H,4,6-9H2,1-3H3,(H,36,37)/t10-,13+,14+,16+,33-/m0/s1
InChI Key GXFLRVXTGPJNOE-GTRRVXLWSA-N

Properties

Boiling Point 870.1±65.0°C at 760 mmHg
Density 1.7±0.1 g/cm3

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* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2

* Total Molecular Weight:
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Tip: Chemical formula is case sensitive. C22H30N4O c22h30n40
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