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Substance Name: Desertomycin D
RN: 143629-44-1
InChIKey: ZQGMDHCZCLGAKC-QOOGOSLPSA-N

Molecular Formula

  • C61-H106-O22

Molecular Weight

  • 1191.4864
 
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Names and Synonyms

Results Name

  • Desertomycin D

Name of Substance

  • Desertomycin B

Synonym

  • Desertomycin D

Systematic Name

  • Oxacyclodotetraconta-3,13,17,21,39-pentaen-2-one, 8,10,16,20,24,26,28,30,32,34,26,28-dodecahydroxy-23-(alpha-D-mannopyranosyloxy)-3,7,9,15,19,21,31,33-octamethyl-42-((1R)-1-((2R)-tetrahydro-5-hydroxy-2-furanyl)ethyl)-, (3E,7S,8R,9S,10S,13E,15S,16S,17E,19S,20R,21E,23S,24R,26S,28S,30S,31S,32R,33S,34R,36S,38S,39E,42S)-

Registry Numbers

CAS Registry Number

  • 143629-44-1

System Generated Number

  • 0143629441

Structure Descriptors

InChI

1S/C61H106O22/c1-31-14-10-11-18-45(68)36(6)55(74)32(2)15-12-16-34(4)60(79)81-49(39(9)50-22-23-53(72)80-50)19-13-17-40(63)25-41(64)27-46(69)37(7)56(75)38(8)47(70)28-42(65)26-43(66)29-48(71)51(24-35(5)54(73)33(3)20-21-44(31)67)82-61-59(78)58(77)57(76)52(30-62)83-61/h10,13-14,16-17,20-21,24,31-33,36-59,61-78H,11-12,15,18-19,22-23,25-30H2,1-9H3/b14-10-,17-13+,21-20+,34-16-,35-24+/t31?,32?,33?,36?,37?,38?,39-,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52+,53?,54?,55?,56?,57+,58-,59-,61-/m0/s1

InChIKey

ZQGMDHCZCLGAKC-QOOGOSLPSA-N

Smiles

CC1CC/C=C(\C(=O)OC(C/C=C/C(CC(CC(C(C(C(C(CC(CC(CC(C(/C=C(/C(C(/C=C/C(C(/C=C\CCC(C(C1O)C)O)C)O)C)O)\C)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)O)C)O)O)O)[C@H](C)C3CCC(O3)O)/C