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Substance Name: Hispidin A
RN: 75975-30-3
InChIKey: ITSDQXUTIHBKJZ-OMYUDPKBSA-N

Molecular Formula

  • C41-H56-O16

Molecular Weight

  • 804.877
 
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Names and Synonyms

Results Name

  • Hispidin A

Synonym

  • Hispidin A

Systematic Name

  • 7,9-Dioxabicyclo(4.2.1)nonane-2-acetic acid, 4-(acetyloxy)-3-((1S,3S,3aS,5R,6R,7R,7aR)-6-(formyloxy)-1-(3-furanyl)octahydro-3a-hydroxy-7-(((2R,3R)-2-hydroxy-3-methyl-1-oxopentyl)oxy)-7a-methyl-4-methylene-3-(((2E)-2-methyl-1-oxo-2-butenyl)oxy)-1H-inden-5-yl)-6-hydroxy-1,3-dimethyl-, methyl ester, (1S,2R,3R,6S)-

Registry Numbers

CAS Registry Number

  • 75975-30-3

System Generated Number

  • 0075975303

Structure Descriptors

InChI

1S/C41H56O16/c1-11-21(3)32(45)36(47)56-34-33(52-20-42)31(38(8)27(16-30(44)50-10)37(7)19-53-40(48,57-37)17-29(38)54-24(6)43)23(5)41(49)28(55-35(46)22(4)12-2)15-26(39(34,41)9)25-13-14-51-18-25/h12-14,18,20-21,26-29,31-34,45,48-49H,5,11,15-17,19H2,1-4,6-10H3/b22-12+/t21-,26-,27+,28+,29?,31-,32-,33-,34+,37-,38-,39-,40+,41-/m1/s1

InChIKey

ITSDQXUTIHBKJZ-OMYUDPKBSA-N

Smiles

C1[C@@H]([C@]([C@H]([C@@]2(CO[C@@]1(O2)O)C)CC(=O)OC)(C)[C@@H]1C([C@@]2([C@H](C[C@@H]([C@@]2([C@H]([C@@H]1OC=O)OC([C@@H]([C@@H](CC)C)O)=O)C)c1cocc1)OC(\C(=C\C)C)=O)O)=C)OC(=O)C