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Substance Name: TPA-20-acetate
RN: 71327-72-5
InChIKey: NXSYILYFIHBMDI-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C38-H57-O9

Molecular Weight

  • 658.8672
 
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Names and Synonyms

Results Name

  • TPA-20-acetate

Synonym

  • TPA-20-acetate

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,9-beta,9a-alpha-tetrahydroxy-3-acetoxymethyl-1,1,6,8-alpha-tetramethyl-, 9a-acetate 9-tetradecanoate

Registry Numbers

CAS Registry Number

  • 71327-72-5

System Generated Number

  • 0071327725

Structure Descriptors

InChI

1S/C38H58O9/c1-8-9-10-11-12-13-14-15-16-17-18-19-31(41)46-34-25(3)37(44)29(32-35(6,7)38(32,34)47-27(5)40)21-28(23-45-26(4)39)22-36(43)30(37)20-24(2)33(36)42/h20-21,25,29-30,32,34,43-44H,8-19,22-23H2,1-7H3

InChIKey

NXSYILYFIHBMDI-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)COC(=O)C)C4C1(C4(C)C)OC(=O)C)O)C