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Substance Name: LS-58500
RN: 39071-30-2
InChIKey: PGLQDKDOYFHAMW-GFCXBYCNSA-N

Classification Codes

  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C27-H36-O8

Molecular Weight

  • 488.5734
 
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Names and Synonyms

Results Name

  • LS-58500

Synonym

  • LS 58500

Systematic Name

  • 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-4a-alpha,7b-alpha,9a-alpha-trihydroxy-3-hydroxymethyl-1,6,8-alpha-trimethyl-1-acetoxymethyl-, 9a-(2-methylbut-2-enoate)

Registry Numbers

CAS Registry Number

  • 39071-30-2

System Generated Number

  • 0039071302

Structure Descriptors

InChI

1S/C27H36O8/c1-7-14(2)23(31)35-26-10-16(4)27(33)19(21(26)24(26,6)13-34-17(5)29)9-18(12-28)11-25(32)20(27)8-15(3)22(25)30/h7-9,16,19-21,28,32-33H,10-13H2,1-6H3/b14-7+/t16-,19+,20-,21-,24-,25-,26+,27-/m1/s1

InChIKey

PGLQDKDOYFHAMW-GFCXBYCNSA-N

Smiles

C\C=C(/C)\C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@@]4(O)[C@H]3C=C(C)C4=O)[C@@H]1[C@@]2(C)COC(=O)C