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Substance Name: Laboutein
RN: 90042-98-1
InChIKey: VEFWRDCPZSQNLG-QNCAMVDGSA-N

Molecular Formula

  • C26-H36-O12

Molecular Weight

  • 540.558
 
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Names and Synonyms

Results Name

  • Laboutein

Synonyms

  • (-)-Laboutein
  • Laboutein

Systematic Name

  • Benzo(4,5)cyclodeca(1,2-b)furan-2(1H)-one, 8,9,13-tris(acetyloxy)-3a,8,8a,9,10,11,12,12a,13,13a-decahydro-11,12,13a-trihydroxy-5-(hydroxymethyl)-1,8a,12-trimethyl-, (1R,3aS,4E,6Z,8S,8aR,9S,11R,12S,12aS,13S,13aS)-

Registry Numbers

CAS Registry Number

  • 90042-98-1

System Generated Number

  • 0090042981

Structure Descriptors

InChI

1S/C26H36O12/c1-12-23(32)38-20-9-16(11-27)7-8-18(35-13(2)28)24(5)19(36-14(3)29)10-17(31)25(6,33)21(24)22(26(12,20)34)37-15(4)30/h7-9,12,17-22,27,31,33-34H,10-11H2,1-6H3/b8-7-,16-9+/t12-,17+,18-,19-,20-,21+,22-,24-,25+,26-/m0/s1

InChIKey

VEFWRDCPZSQNLG-QNCAMVDGSA-N

Smiles

O1[C@@H]2[C@@]([C@H](C1=O)C)([C@H]([C@@H]1[C@@]([C@H](C=CC(=C2)CO)OC(=O)C)([C@H](C[C@H]([C@@]1(C)O)O)OC(=O)C)C)OC(=O)C)O