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Substance Name: 2-Hydroxy-2-deoxotetrahydrobrusatol lactol
RN: 81608-59-5
InChIKey: UJCWTTPZAOPWQR-BBYIKHOBSA-N

Molecular Formula

  • C26-H40-O11

Molecular Weight

  • 528.591
 
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Names and Synonyms

Results Name

  • 2-Hydroxy-2-deoxotetrahydrobrusatol lactol

Synonyms

  • 2-Hydroxy-2-deoxotetrahydrobrusatol lactol
  • Methyl 13,20-epoxy-2,3,11,12,16-pentahydroxy-15-(3-methyl-1-oxobutoxy)picrasan-21-oate

Systematic Name

  • Picrasan-21-oic acid, 13,20-epoxy-2,3,11,12,16-pentahydroxy-15-(3-methyl-1-oxobutoxy)-, methyl ester

Registry Numbers

CAS Registry Number

  • 81608-59-5

System Generated Number

  • 0081608595

Structure Descriptors

InChI

1S/C26H40O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h10-14,16-22,27,29-32H,6-9H2,1-5H3/t11?,12-,13?,14+,16?,17+,18+,19+,20+,21-,22?,24-,25+,26-/m0/s1

InChIKey

UJCWTTPZAOPWQR-BBYIKHOBSA-N

Smiles

C1[C@@]2([C@H]([C@@H](C)[C@@H]([C@@H]1O)O)C[C@H]1O[C@@H]([C@@H]([C@@H]3[C@@]41[C@@H]2[C@@H](O)[C@@H](O)[C@@]3(C(OC)=O)OC4)OC(CC(C)C)=O)O)C