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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H48N6O10
Molecular Weight 772.8433
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BOUVARDIN

SMILES

[H][C@]12[C@@H](O)C3=CC=C(OC4=C(O)C=CC(C[C@H](N(C)C1=O)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CC5=CC=C(OC)C=C5)C(=O)N[C@@H](C)C(=O)N2C)=C4)C=C3

InChI

InChIKey=TWOWSRSKGJSZHZ-YXJYTWHVSA-N
InChI=1S/C40H48N6O10/c1-21-35(49)42-22(2)38(52)44(4)29(18-24-8-13-27(55-7)14-9-24)37(51)43-23(3)39(53)46(6)33-34(48)26-11-15-28(16-12-26)56-32-20-25(10-17-31(32)47)19-30(36(50)41-21)45(5)40(33)54/h8-17,20-23,29-30,33-34,47-48H,18-19H2,1-7H3,(H,41,50)(H,42,49)(H,43,51)/t21-,22+,23+,29+,30+,33+,34+/m1/s1

HIDE SMILES / InChI

Molecular Formula C40H48N6O10
Molecular Weight 772.8433
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
22AY1D3UAX
Record Status Validated (UNII)
Record Version