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Substance Name: 1H-2,8a-Methanocyclopenta(a)cyclopropa(e)cyclodecen-11-one, 2,5,5a,6,9,10,10a,1a-octahydro-4-hydroxymethyl-1,1,7,9-tetramethyl-5,5a,6-trihydroxy-, 5-hexadecanoate
RN: 37394-33-5
InChIKey: FERBCNQIQRZHHD-OVTXEERBSA-N

Classification Codes

  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C36-H58-O6

Molecular Weight

  • 586.8482
 
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Names and Synonyms

Synonym

  • Ingenane hexadecanoate

Systematic Name

  • 1H-2,8a-Methanocyclopenta(a)cyclopropa(e)cyclodecen-11-one, 2,5,5a,6,9,10,10a,1a-octahydro-4-hydroxymethyl-1,1,7,9-tetramethyl-5,5a,6-trihydroxy-, 5-hexadecanoate

Registry Numbers

CAS Registry Number

  • 37394-33-5

System Generated Number

  • 0037394335

Structure Descriptors

InChI

1S/C36H58O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(38)42-33-26(23-37)21-27-30-28(34(30,4)5)20-25(3)35(32(27)40)22-24(2)31(39)36(33,35)41/h21-22,25,27-28,30-31,33,37,39,41H,6-20,23H2,1-5H3/t25-,27+,28+,30-,31+,33-,35?,36-/m0/s1

InChIKey

FERBCNQIQRZHHD-OVTXEERBSA-N

Smiles

CCCCCCCCCCCCCCCC(=O)O[C@H]1C(=C[C@@H]2[C@H]3[C@H](C3(C)C)C[C@@H](C4(C2=O)[C@@]1([C@@H](C(=C4)C)O)O)C)CO