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Substance Name: Grincamycin
RN: 113395-84-9
InChIKey: IXPHWNDNFODHFL-NNVSXWABSA-N

Note

  • Isolated from Streptomyces griseoincarnatus.

Molecular Formula

  • C49-H62-O18

Molecular Weight

  • 939.0108
 
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Names and Synonyms

Name of Substance

  • Grincamycin

Synonym

  • 9-(2,6-Dideoxy-4-O-((2S-(2alpha,5beta(2S*,6R*),6beta))-tetrahydro-6-methyl-5-((tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)-2H-pyran-2-yl)-beta-D-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-4a,8,12b-trihydroxy-3-methyl-3-((tetrahydro-6-methyl-5-((tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)-2H-pyran-2-yl)oxy)benz(a)anthracene-1,7,12(2H)-trione (3R-(3alpha(2S*,5S*(2R*,6S*),6S*),4aalpha,12aalpha))-

Systematic Name

  • Benz(a)anthracene-1,7,12(2H)-trione, 9-(2,6-dideoxy-4-O-((2S-(2alpha,5beta(2S*,6R*),6beta))-tetrahydro-6-methyl-5-((tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)-2H-pyran-2-yl)-beta-D-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-4a,8,12b-trihydroxy-3-methyl-3-((tetrahydro-6-methyl-5-((tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)-2H-pyran-2-yl)oxy)-, (3R-(3alpha(2S*,5S*(2R*,6S*),6S*),4aalpha,12aalpha))-

Registry Numbers

CAS Registry Number

  • 113395-84-9

System Generated Number

  • 0113395849

Structure Descriptors

InChI

1S/C49H62O18/c1-21-29(50)9-14-35(61-21)65-31-11-12-33(60-23(31)3)38-25(5)64-46(45(57)44(38)56)28-8-7-26-39(42(28)54)41(53)27-17-18-48(58)20-47(6,19-34(52)49(48,59)40(27)43(26)55)67-37-16-13-32(24(4)63-37)66-36-15-10-30(51)22(2)62-36/h7-8,17-18,21-25,31-33,35-38,44-46,54,56-59H,9-16,19-20H2,1-6H3/t21?,22?,23?,24?,25?,31?,32?,33?,35?,36?,37?,38-,44+,45-,46-,47?,48?,49?/m0/s1

InChIKey

IXPHWNDNFODHFL-NNVSXWABSA-N

Smiles

CC1[C@H]([C@H]([C@@H]([C@@H](O1)c2ccc3c(c2O)C(=O)C4=C(C3=O)C5(C(=O)CC(CC5(C=C4)O)(C)OC6CCC(C(O6)C)OC7CCC(=O)C(O7)C)O)O)O)C8CCC(C(O8)C)OC9CCC(=O)C(O9)C