(2R)-2-[(5S,6R)-6-{(3E,5E)-6-[(1S,3aR,4S,5R,7aS)-1-Ethyl-4-(1H-py rrol-2-ylcarbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]-3,5-hex adien-3-yl}-5-methyltetrahydro-2H-pyran-2-yl]propanoic acid

Modify Date: 2024-01-06 13:31:45

(2R)-2-[(5S,6R)-6-{(3E,5E)-6-[(1S,3aR,4S,5R,7aS)-1-Ethyl-4-(1H-py rrol-2-ylcarbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]-3,5-hex adien-3-yl}-5-methyltetrahydro-2H-pyran-2-yl]propanoic acid Structure
(2R)-2-[(5S,6R)-6-{(3E,5E)-6-[(1S,3aR,4S,5R,7aS)-1-Ethyl-4-(1H-py rrol-2-ylcarbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]-3,5-hex adien-3-yl}-5-methyltetrahydro-2H-pyran-2-yl]propanoic acid structure
Common Name (2R)-2-[(5S,6R)-6-{(3E,5E)-6-[(1S,3aR,4S,5R,7aS)-1-Ethyl-4-(1H-py rrol-2-ylcarbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]-3,5-hex adien-3-yl}-5-methyltetrahydro-2H-pyran-2-yl]propanoic acid
CAS Number 66513-28-8 Molecular Weight 493.67700
Density 1.115g/cm3 Boiling Point 654ºC at 760 mmHg
Molecular Formula C31H43NO4 Melting Point N/A
MSDS N/A Flash Point 349.3ºC

 Names

Name (2R)-2-[(5S,6R)-6-{(3E,5E)-6-[(1S,3aR,4S,5R,7aS)-1-Ethyl-4-(1H-py rrol-2-ylcarbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]-3,5-hex adien-3-yl}-5-methyltetrahydro-2H-pyran-2-yl]propanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.115g/cm3
Boiling Point 654ºC at 760 mmHg
Molecular Formula C31H43NO4
Molecular Weight 493.67700
Flash Point 349.3ºC
Exact Mass 493.31900
PSA 79.39000
LogP 6.84900
Index of Refraction 1.568
InChIKey BAIPOTOKPGDCHA-RJSRDJJWSA-N
SMILES CCC(=CC=CC1C=CC2C(CC)CCC2C1C(=O)c1ccc[nH]1)C1OC(C(C)C(=O)O)CCC1C

 Synthetic Route

 Synonyms

5H-Benzo(d)naphtho(2,3-b)pyran-5,7,12-trione,8-hydroxy-1-methoxy-3-methyl
8-HYDROXY-1-METHOXY-3-METHYL-5H-BENZO[D]NAPHTHO[2,3-B]PYRAN-5,7,12-TRIONE
indanomycin
WS-5995 A
Antibiotic WS5995A
8-hydroxy-1-methoxy-3-methyl-7,12-dihydro-5H-benzo[d]naphtho[2,3-b]pyran-5,7,12-trione
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