934841-22-2
N-[(1S,3S)-3-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZOYL]-4-METHYL-1-[(2S,4S)-TETRAHYDRO-4-(1-METHYLETHYL)-5-OXO-2-FURANYL]PENTYL]CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER
Name
N-[(1S,3S)-3-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZOYL]-4-METHYL-1-[(2S,4S)-TETRAHYDRO-4-(1-METHYLETHYL)-5-OXO-2-FURANYL]PENTYL]CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER
Formula
C30 H47 N O8
MolWeight
549.7
1Identification
【Name】
N-[(1S,3S)-3-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZOYL]-4-METHYL-1-[(2S,4S)-TETRAHYDRO-4-(1-METHYLETHYL)-5-OXO-2-FURANYL]PENTYL]CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD20528378
【English Synonyms】
【Formula】
C30 H47 N O8
【MolWeight】
549.7
【Inchi】
InChI=1S/C30H47NO8/c1-18(2)21(27(32)20-11-12-24(36-9)26(15-20)37-14-10-13-35-8)16-23(31-29(34)39-30(5,6)7)25-17-22(19(3)4)28(33)38-25/h11-12,15,18-19,21-23,25H,10,13-14,16-17H2,1-9H3,(H,31,34)/t21-,22-,23-,25-/m0/s1
【InChIKey】
InChIKey=ZCDGQHQLTWZKKB-LCXINAFSSA-N
【SMILES】
CC(C)[C@@H]1C[C@H](OC1=O)[C@H](C[C@@H](C(C)C)C(=O)c2ccc(c(c2)OCCCOC)OC)NC(=O)OC(C)(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
N-[(1S,3S)-3-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZOYL]-4-METHYL-1-[(2S,4S)-TETRAHYDRO-4-(1-METHYLETHYL)-5-OXO-2-FURANYL]PENTYL]CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER.cml
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