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Substance Name: Gambierol
RN: 146763-62-4
InChIKey: GKLILONDTZZKRF-IDJCTBPMSA-N

Molecular Formula

  • C43-H64-O11

Molecular Weight

  • 756.968
 
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Names and Synonyms

Results Name

  • Gambierol

Synonym

  • (-)-Gambierol

Registry Numbers

CAS Registry Number

  • 146763-62-4

System Generated Number

  • 0146763624

Structure Descriptors

InChI

1S/C43H64O11/c1-7-8-9-10-11-14-34-39(2,46)18-17-28-30(49-34)22-36-42(5,52-28)25-41(4)35(51-36)16-15-27-31(53-41)21-29-32(48-27)24-40(3)37(50-29)23-38-43(6,54-40)33(45)20-26(47-38)13-12-19-44/h7,9-11,14,17-18,26-38,44-46H,1,8,12-13,15-16,19-25H2,2-6H3/b10-9-,14-11-/t26-,27+,28+,29+,30-,31-,32-,33-,34+,35-,36+,37-,38+,39-,40+,41+,42-,43-/m0/s1

InChIKey

GKLILONDTZZKRF-IDJCTBPMSA-N

Smiles

O[C@]1(C=C[C@@H]2[C@H](C[C@@H]3[C@](C)(O2)C[C@@]2([C@@H](CC[C@H]4O[C@H]5C[C@@]6(C)O[C@]7(C)[C@@H](C[C@@H]6O[C@@H]5C[C@H]4O2)O[C@H](C[C@@H]7O)CCCO)O3)C)O[C@@H]1\C=C/C=C\CC=C)C