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Substance Name: Tetradecanoic acid, (1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,6,8-trimethyl-9a-((2-methyl-1-oxo-2-butenyl)oxy)-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-1-yl)methyl ester, (1S-(1alpha,1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9aalpha(Z)))-
RN: 52084-32-9
InChIKey: VZLPRHAZVFAPNC-SCPHOSCGSA-N

Molecular Formula

  • C39-H60-O8

Molecular Weight

  • 656.895
 
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Names and Synonyms

  • Tetradecanoic acid, (1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,6,8-trimethyl-9a-((2-methyl-1-oxo-2-butenyl)oxy)-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-1-yl)methyl ester, (1S-(1alpha,1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9aalpha(Z)))-

Registry Numbers

CAS Registry Number

  • 52084-32-9

System Generated Number

  • 0052084329

Structure Descriptors

InChI

1S/C39H60O8/c1-7-9-10-11-12-13-14-15-16-17-18-19-32(41)46-25-36(6)33-30-21-29(24-40)23-37(44)31(20-27(4)34(37)42)39(30,45)28(5)22-38(33,36)47-35(43)26(3)8-2/h8,20-21,28,30-31,33,40,44-45H,7,9-19,22-25H2,1-6H3/b26-8-/t28-,30+,31-,33-,36-,37-,38?,39-/m1/s1

InChIKey

VZLPRHAZVFAPNC-SCPHOSCGSA-N

Smiles

C(CCCCCCCCCCCCC)(=O)OC[C@@]1([C@@H]2[C@@]1(C[C@H]([C@@]1([C@@H]3C=C(C([C@@]3(CC(=C[C@@H]21)CO)O)=O)C)O)C)OC(\C(=C/C)C)=O)C