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Substance Name: Quartromicin D1
RN: 140447-99-0
InChIKey: QRIFUTSHNGBCFH-BMOXXYDWSA-N

Molecular Formula

  • C65-H78-O20

Molecular Weight

  • 1179.3112
 
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Names and Synonyms

Results Name

  • Quartromicin D1

Synonyms

  • BU-3889V D1
  • Quartromicin D1

Systematic Name

  • 4a,7:14a,17:26a,29:36a,39-Tetrametheno-6H,16H,28H,38H-tetrabenzo(b,j,t,b1)(1,9,19,27)tetraoxacyclohexatriacontin-12,34-dicarboxaldehyde, 3,4,8,10a,13,14,18,22a,25,26,30,32a,35,36,40,44a-hexadecahydro-45,46,47,48-tetrahydroxy-2,24-bis(hydroxymethyl)-3,10a,13,19,22a,25,32a,35,41,44a-decamethyl-6,8,16,18,28,30,38,40-octaoxo-

Registry Numbers

CAS Registry Number

  • 140447-99-0

System Generated Number

  • 0140447990

Structure Descriptors

InChI

1S/C65H78O20/c1-32-12-10-14-42-20-38(28-66)34(3)21-62(42)51(74)45(55(78)82-62)43(70)15-18-60(8)26-40(30-68)37(6)24-65(60)54(77)48(58(81)85-65)50(73)33(2)13-11-17-59(7)25-39(29-67)35(4)22-63(59)52(75)46(56(79)83-63)44(71)16-19-61(9)27-41(31-69)36(5)23-64(61)53(76)47(49(32)72)57(80)84-64/h10-20,25-27,30-31,34-37,42-50,55-58,66-67,70-73H,21-24,28-29H2,1-9H3/q-4/b14-10+,17-11+,18-15+,19-16+,32-12+,33-13+

InChIKey

QRIFUTSHNGBCFH-BMOXXYDWSA-N

Smiles

CC1CC23C(/C=C/C=C(/C(C4C(OC5(C4=O)CC(C(=CC5(/C=C/C(C6C(OC7(C6=O)CC(C(=CC7(/C=C/C=C(/C(C8C(OC9(C8=O)CC(C(=CC9(/C=C/C(C(C2=O)C(O3)[O-])O)C)C=O)C)[O-])O)\C)C)CO)C)[O-])O)C)C=O)C)[O-])O)\C)C=C1CO