(5R,7S,8R,9S,11S,13E,15R,18S,19R,20S,23S)-3,3,8,18-tetrahydroxy-20-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-7,9-dimethoxy-5,11,13,19-tetramethyl-15-prop-2-enyl-21-oxa-1-azabicyclo[21.4.0]heptacos-13-ene-2,4,16,22-tetrone

Modify Date: 2024-10-06 12:07:38

(5R,7S,8R,9S,11S,13E,15R,18S,19R,20S,23S)-3,3,8,18-tetrahydroxy-20-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-7,9-dimethoxy-5,11,13,19-tetramethyl-15-prop-2-enyl-21-oxa-1-azabicyclo[21.4.0]heptacos-13-ene-2,4,16,22-tetrone structure	Common Name	(5R,7S,8R,9S,11S,13E,15R,18S,19R,20S,23S)-3,3,8,18-tetrahydroxy-20-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-7,9-dimethoxy-5,11,13,19-tetramethyl-15-prop-2-enyl-21-oxa-1-azabicyclo[21.4.0]heptacos-13-ene-2,4,16,22-tetrone
	CAS Number	144432-23-5	Molecular Weight	822.03300
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₄₄H₇₁NO₁₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	(5R,7S,8R,9S,11S,13E,15R,18S,19R,20S,23S)-3,3,8,18-tetrahydroxy-20-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-7,9-dimethoxy-5,11,13,19-tetramethyl-15-prop-2-enyl-21-oxa-1-azabicyclo[21.4.0]heptacos-13-ene-2,4,16,22-tetrone
Synonym	More Synonyms

Molecular Formula	C₄₄H₇₁NO₁₃
Molecular Weight	822.03300
Exact Mass	821.49300
PSA	209.59000
LogP	3.53130
InChIKey	NDOLMJWSFDJWBE-SICKWUOOSA-N
SMILES	C=CCC1C=C(C)CC(C)CC(OC)C(O)C(OC)CC(C)C(=O)C(O)(O)C(=O)N2CCCCC2C(=O)OC(C(C)=CC2CCC(O)C(OC)C2)C(C)C(O)CC1=O

UNII-81QVK492XQ

Oxacyclohexane open ring tacrolimus

Tacrolimus related compound,tacrolimus open ring-[USP]

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