Identification
Name |
Milliamine I |
Synonyms |
Milliamine I; 9A-(Acetyloxy)-1A,1B,4,4A,5,7A,7B,8,9,9A-Decahydro-4,4A,7B-Trihydroxy-3-(Hydroxymethyl)-1,1,6,8-Tetramethyl-5-Oxo-1H-Cyclopropa(3,4)Benz(1,2-E)Azulen-9-Yl 2-((2-Hydroxybenzoyl)Amino)Benzoate (1Ar-(1Aalpha,1Bbeta,4Beta,4Abeta,7Aalpha,7Balpha,8Alpha,9Beta,9Aalpha))- |
|
Molecular Structure |
 |
Molecular Formula |
C36H39NO11 |
Molecular Weight |
661.70 |
CAS Registry Number |
91197-54-5 |
SMILES |
[C@H]14[C@](OC(=O)C)(C1(C)C)[C@H](OC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3O)[C@H]([C@@]5(O)[C@H]4C=C([C@@H](O)[C@@]6(O)[C@H]5C=C(C6=O)C)CO)C |
InChI |
1S/C36H39NO11/c1-17-14-26-34(45)18(2)30(47-32(44)21-10-6-8-12-24(21)37-31(43)22-11-7-9-13-25(22)40)36(48-19(3)39)27(33(36,4)5)23(34)15-20(16-38)29(42)35(26,46)28(17)41/h6-15,18,23,26-27,29-30,38,40,42,45-46H,16H2,1-5H3,(H,37,43)/t18-,23+,26+,27-,29-,30-,34-,35-,36-/m1/s1 |
InChIKey |
VUQHWMAXRXEJMP-WWUXGYBKSA-N |
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