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Substance Name: 31-O-Demethyl-FK506
RN: 135635-47-1
InChIKey: VHOPGJHKSPGXIZ-AMASXYNMSA-N

Molecular Formula

  • C43-H67-N-O12

Molecular Weight

  • 789.9973
 
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Names and Synonyms

Name of Substance

  • 31-O-Demethyl-FK506

Synonym

  • 31-O-Demethyl-FK-506

Systematic Name

  • 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 3-(2-(3,4-dihydroxycyclohexyl)-1-methylethenyl)- 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-

Registry Numbers

CAS Registry Number

  • 135635-47-1

System Generated Number

  • 0135635471

Structure Descriptors

InChI

1S/C43H67NO12/c1-9-12-30-18-24(2)17-25(3)19-36(53-7)39-37(54-8)21-27(5)43(52,56-39)40(49)41(50)44-16-11-10-13-31(44)42(51)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(48)22-29/h9,18,20,25,27-33,35-39,45-46,48,52H,1,10-17,19,21-23H2,2-8H3/b24-18+,26-20+

InChIKey

VHOPGJHKSPGXIZ-AMASXYNMSA-N

Smiles

CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(/C=C(/C1)\C)CC=C)O)C)/C(=C/C4CCC(C(C4)O)O)/C)O)C)OC)OC