CAS RN 101932-71-2
IUPAC Namn:
{[(2R,3R,5S,7R,8R,9S)-2-[(1S,3S,4R,5R,6R,7E,9E,11E,13Z)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraen-1-yl]-7-[(2E)-3-{2-[(2S)-4-[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanamido]butan-2-yl]-1,3-oxazol-4-yl}prop-2-en-1-yl]-9-hydroxy-4,4,8-trimethyl-1,6-dioxaspiro[4.5]decan-3-yl]oxy}phosphonic acid
Synonymer:
[(2R,3R,5S,7R,8R,9S)-2-[(1S,3S,4R,5R,6R,7E,9E,11E,13Z)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraen-1-yl]-7-[(2E)-3-{2-[(2S)-4-[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanamido]butan-2-yl]-1,3-oxazol-4-yl}prop-2-en-1-yl]-9-hydroxy-4,4,8-trimethyl-1,6-dioxaspiro[4.5]decan-3-yl]oxyphosphonic acid
Molekylvikt (g/mol):
1009.19
Molekylär sammansättning:
C50H81N4O15P
InChi Key:
FKAWLXNLHHIHLA-QJLNTFFJSA-N
SMILES:
COC[C@@H]([C@H](O)[C@H](O)C(=O)NCC[C@H](C)C1=NC(\C=C\C[C@H]2O[C@@]3(C[C@H](O)[C@H]2C)O[C@H]([C@H](C[C@H](O)[C@@H](C)[C@H](O)[C@H](C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C/C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)=CO1)N(C)C
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2
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2
Resultat
1
Calyculin A,> 98 %, MP Biomedicals™
CAS: 101932-71-2 Molekylformel: C50H81N4O15P Molekylvikt (g/mol): 1009.185 InChI-nyckel: FKAWLXNLHHIHLA-OROLNYDDSA-N Synonym: calyculin a PubChem CID: 131632568 IUPAC-namn: [(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-14-cyano-3,5-dihydroxi-1-metoxi-4,6,8,9,13-pentametyltetradeka-7,9,11,13-tetraenyl]- 9-[3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimetylamino)-2,3-dihydroxi-5-metoxipentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-7 LEDER: CC1C(CC2(C(C(C(O2)C(CC(C(C)C(C(C)C=C(C)C(=CC=CC(=CC#N)C)C)O)O)OC)OP(=O)(O)O)(C)C)OC1CC=CC3=COC(=N3)C(C)CCNC(=O)C(C(C(COC)N(C)C)O)O)O
