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(3S,5S,7S,8S,12S,13E,17S,20S,23S,28aS)-3-tert-butyl-7-hydroxy-17-(4-methoxybenzyl)-5,8,14,19,20,22-hexamethyl-23-[(1S)-1-methylpropyl]-3,4,5,6,7,8,11,12,16,17,19,20,22,23,26,27,28,28a-octadecahydro-1H-12,9-(azeno)pyrrolo[2,1-c][1,19,4,7,10,13]oxathiatetra (350791-64-9)

Identification
Name:(3S,5S,7S,8S,12S,13E,17S,20S,23S,28aS)-3-tert-butyl-7-hydroxy-17-(4-methoxybenzyl)-5,8,14,19,20,22-hexamethyl-23-[(1S)-1-methylpropyl]-3,4,5,6,7,8,11,12,16,17,19,20,22,23,26,27,28,28a-octadecahydro-1H-12,9-(azeno)pyrrolo[2,1-c][1,19,4,7,10,13]oxathiatetra
Synonyms:Apratoxin A;CHEBI:35212;CHEMBL501696;(2S,3S,5S,7S,10S,16S,19S,22S,25E,27S)-16-[(2S)-butan-2-yl]-7-tert-butyl-3-hydroxy-22-(4-methoxybenzyl)-2,5,17,19,20,25-hexamethyl-8-oxa-29-thia-14,17,20,23,30-pentaazatricyclo[25.2.1.0(10,14)]triaconta-1(30),25-diene-9,15,18,21,24-pentone;7'''.1,4-anhydro(N-{3-[2-(3,7-dihydroxy-5,8,8-trimethylnonan-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]-2-methylpropenoyl}-O-methyl-L-tyrosyl-N-methyl-L-alanyl-N-methyl-L-isoleucyl-L-proline);N-((2E)-3-((4S)-4,5-dihydro-2-((1S,2S,4S,6S)-2,6-dihydroxy-1,4,7,7-tetramethyloctyl)-4-thiazolyl)-2-methyl-1-oxo-2-propenyl)-O-methyl-L-tyrosyl-N-methyl-L-alanyl-N-methyl-L-isoleucyl-L-proline (4-16)-lactone
CAS:350791-64-9
Molecular Formula: C45H69N5O8S
Molecular Weight: 840.1231
InChI: InChI=1/C45H69N5O8S/c1-13-27(3)38-43(55)50-20-14-15-35(50)44(56)58-37(45(7,8)9)22-26(2)21-36(51)29(5)40-46-32(25-59-40)23-28(4)39(52)47-34(24-31-16-18-33(57-12)19-17-31)42(54)48(10)30(6)41(53)49(38)11/h16-19,23,26-27,29-30,32,34-38,51H,13-15,20-22,24-25H2,1-12H3,(H,47,52)/b28-23+/t26-,27-,29-,30-,32-,34-,35-,36-,37-,38-/m0/s1
Molecular Structure: (C45H69N5O8S) Apratoxin A;CHEBI:35212;CHEMBL501696;(2S,3S,5S,7S,10S,16S,19S,22S,25E,27S)-16-[(2S)-butan-2-yl]-7-te...
Properties
Flash Point: 554.8°C
Boiling Point: 993.7°C at 760 mmHg
Density:1.22g/cm3
Refractive index:1.588
Flash Point: 554.8°C
Safety Data
 

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