59865-15-5
DIHYDROCYCLOSPORIN A
Name
DIHYDROCYCLOSPORIN A
Formula
C62 H113 N11 O12
MolWeight
1204.64
1Identification
【Name】
DIHYDROCYCLOSPORIN A
【CAS】
【MDL】
MFCD08458303
【English Synonyms】
【Formula】
C62 H113 N11 O12
【MolWeight】
1204.64
【Inchi】
InChI=1S/C62H113N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h34-47,49-52,75H,25-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
【InChIKey】
InChIKey=TYFOVYYNQGNDKH-HHPJSCBPSA-N
【SMILES】
CCCC[C@@H](C)[C@H]([C@H]1C(=O)N[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)CC)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:23
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIHYDROCYCLOSPORIN A.cml
Quick Release
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Catalog No:CY12205 10
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