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Chemistry, part 2

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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 > triterpenoid > pentacyclic triterpenoid > betulin di(3-carboxybutanoate)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > pentacyclic triterpenoid > betulin di(3-carboxybutanoate)
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > pentacyclic triterpenoid > betulin di(3-carboxybutanoate)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > pentacyclic triterpenoid > betulin di(3-carboxybutanoate)
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > pentacyclic triterpenoid > betulin di(3-carboxybutanoate)
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > pentacyclic triterpenoid > betulin di(3-carboxybutanoate)

Preferred term

betulin di(3-carboxybutanoate)  

Type

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

Broader concept

charge

  • 0

formula

  • C40H62O8

has_functional_parent

has_role

inchi

  • InChI=1S/C40H62O8/c1-23(2)26-12-17-40(22-47-31(41)20-24(3)34(43)44)19-18-38(8)27(33(26)40)10-11-29-37(7)15-14-30(48-32(42)21-25(4)35(45)46)36(5,6)28(37)13-16-39(29,38)9/h24-30,33H,1,10-22H2,2-9H3,(H,43,44)(H,45,46)/t24?,25?,26-,27+,28-,29+,30-,33+,37-,38+,39+,40+/m0/s1

inchikey

  • WFCWZNNEFSCJLR-KPSWSAGWSA-N

mass

  • 670.91550

monoisotopicmass

  • 670.44447

smiles

  • [H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](OC(=O)CC(C)C(O)=O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@]1(CC[C@@H](C(C)=C)[C@]21[H])COC(=O)CC(C)C(O)=O

subset

  • 3_STAR

synonym EXACT

  • 4,4'-[(3beta)-lup-20(29)-ene-3,28-diylbis(oxy)]bis(2-methyl-4-oxobutanoic acid)

synonym RELATED

  • betulin diester

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:65486

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