CAS 115074-43-6 | L-talo-Non-2-enonic acid, 5,9-anhydro-2,3,4,8-tetradeoxy-8-[(2S,3S)-[3-[(1S,2S)-2-hydroxy-1-methylpropyl]-2-oxiranyl]methyl]-3-methyl-, 8-carboxyoctyl ester, calcium salt, hydrate (2:1:2) | CAS Number 115074-43-6

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115074-43-6 | L-talo-Non-2-enonic acid, 5,9-anhydro-2,3,4,8-tetradeoxy-8-[(2S,3S)-[3-[(1S,2S)-2-hydroxy-1-methylpropyl]-2-oxiranyl]methyl]-3-methyl-, 8-carboxyoctyl ester, calcium salt, hydrate (2:1:2)

CAS No: 115074-43-6 Catalog No: AG000FUY MDL No:

Product Description

Catalog Number:

AG000FUY

Chemical Name:

L-talo-Non-2-enonic acid, 5,9-anhydro-2,3,4,8-tetradeoxy-8-[(2S,3S)-[3-[(1S,2S)-2-hydroxy-1-methylpropyl]-2-oxiranyl]methyl]-3-methyl-, 8-carboxyoctyl ester, calcium salt, hydrate (2:1:2)

CAS Number:

115074-43-6

Molecular Formula:

C52H92CaO20

Molecular Weight:

1077.3529

IUPAC Name:

calcium;9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoate;dihydrate

InChI:

InChI=1S/2C26H44O9.Ca.2H2O/c2*1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27;;;/h2*13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29);;2*1H2/q;;+2;;/p-2/b2*16-13+;;;/t2*17-,18-,19-,20-,21-,24+,25-,26-;;;/m00.../s1

InChI Key:

DDHVILIIHBIMQU-YJGQQKNPSA-L

SMILES:

OC(=O)CCCCCCCCOC(=O)C=C(C[C@@H]1OC[C@@H]([C@H]([C@H]1O)O)C[C@@H]1O[C@H]1[C@H]([C@@H](O)C)C)C.OC(=O)CCCCCCCCOC(=O)C=C(C[C@@H]1OC[C@@H]([C@H]([C@H]1O)O)C[C@@H]1O[C@H]1[C@H]([C@@H](O)C)C)C.O.O.[Ca]

UNII:

RG38I2P540