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Substance Name: Butanoic acid, 2-methyl-, (1R,2S,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-((acetyloxy)methyl)-5-((2S,3aR,6aS)-hexahydrofuro(2,3-b)furan-2-yl)octahydro-2-hydroxy-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-4-yl ester, (2S)-
RN: 72160-84-0
InChIKey: YKWBDFBNTYGFFZ-JBXMTNKTSA-N

Molecular Weight

  • 552.657
 
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Names and Synonyms

  • Butanoic acid, 2-methyl-, (1R,2S,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-((acetyloxy)methyl)-5-((2S,3aR,6aS)-hexahydrofuro(2,3-b)furan-2-yl)octahydro-2-hydroxy-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-4-yl ester, (2S)-

Registry Numbers

CAS Registry Number

  • 72160-84-0

System Generated Number

  • 0072160840

Structure Descriptors

InChI

1S/C29H44O10/c1-7-15(2)25(33)38-20-12-21(32)29(14-36-29)28(13-35-17(4)30)23(37-18(5)31)10-16(3)27(6,24(20)28)22-11-19-8-9-34-26(19)39-22/h15-16,19-24,26,32H,7-14H2,1-6H3/t15-,16+,19+,20+,21?,22?,23-,24+,26-,27+,28+,29+/m0/s1

InChIKey

YKWBDFBNTYGFFZ-JBXMTNKTSA-N

Smiles

C([C@H](CC)C)(=O)O[C@@H]1C[C@@H]([C@@]2([C@@]3([C@H](C[C@H]([C@@]([C@@H]13)(C)[C@@H]1C[C@@H]3[C@H](O1)OCC3)C)OC(=O)C)COC(=O)C)OC2)O