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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H37ClN2O8
Molecular Weight 565.055
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MAYTANSINOL

SMILES

CO[C@@H]1\C=C\C=C(C)\CC2=CC(N(C)C(=O)C[C@H](O)[C@]3(C)O[C@H]3[C@H](C)[C@@H]4C[C@@]1(O)NC(=O)O4)=C(Cl)C(OC)=C2

InChI

InChIKey=QWPXBEHQFHACTK-RZKXNLMUSA-N
InChI=1S/C28H37ClN2O8/c1-15-8-7-9-22(37-6)28(35)14-20(38-26(34)30-28)16(2)25-27(3,39-25)21(32)13-23(33)31(4)18-11-17(10-15)12-19(36-5)24(18)29/h7-9,11-12,16,20-22,25,32,35H,10,13-14H2,1-6H3,(H,30,34)/b9-7+,15-8+/t16-,20+,21+,22-,25+,27+,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H37ClN2O8
Molecular Weight 565.055
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
ZWJ9A2AJ2U
Record Status Validated (UNII)
Record Version