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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > monoterpenoid > premyrsinol-3-propanoate-5-benzoate-7,13,17-triacetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > monoterpenoid > premyrsinol-3-propanoate-5-benzoate-7,13,17-triacetate

Preferred term

premyrsinol-3-propanoate-5-benzoate-7,13,17-triacetate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C36H46O12

has_role

inchi

  • InChI=1S/C36H46O12/c1-9-25(40)46-28-18(2)16-36(43)27(28)30(47-31(41)22-13-11-10-12-14-22)35(17-44-19(3)37)24(45-20(4)38)15-23-26(33(23,6)7)29(35)34(8,32(36)42)48-21(5)39/h10-14,18,23-24,26-30,43H,9,15-17H2,1-8H3/t18-,23-,24+,26-,27+,28-,29-,30+,34-,35+,36+/m0/s1

inchikey

  • XCYFSKKZKGHHRG-BZCIOZDJSA-N

mass

  • 670.74320

monoisotopicmass

  • 670.29893

smiles

  • [H][C@]12C[C@@H](OC(C)=O)[C@@]3(COC(C)=O)[C@H](OC(=O)c4ccccc4)[C@@]4([H])[C@@H](OC(=O)CC)[C@@H](C)C[C@]4(O)C(=O)[C@@](C)(OC(C)=O)[C@]3([H])[C@@]1([H])C2(C)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69730

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