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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 > diterpenoid > (1r,2r,3ar,5r,6e,10r,11s,13r,13as)-1,3,3a,5,8,10,11,12,13,13a-decahydro-1,2,3a,10,11,13-hexaacetoxy-2,5,8,8-tetramethyl-12-methylene-4h-cyclopentacyclododecene-4,9(2h)-dione
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > (1r,2r,3ar,5r,6e,10r,11s,13r,13as)-1,3,3a,5,8,10,11,12,13,13a-decahydro-1,2,3a,10,11,13-hexaacetoxy-2,5,8,8-tetramethyl-12-methylene-4h-cyclopentacyclododecene-4,9(2h)-dione

Preferred term

(1r,2r,3ar,5r,6e,10r,11s,13r,13as)-1,3,3a,5,8,10,11,12,13,13a-decahydro-1,2,3a,10,11,13-hexaacetoxy-2,5,8,8-tetramethyl-12-methylene-4h-cyclopentacyclododecene-4,9(2h)-dione  

Type

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

Broader concept

charge

  • 0

formula

  • C32H42O14

inchi

  • InChI=1S/C32H42O14/c1-15-12-13-30(9,10)28(40)26(43-19(5)35)25(42-18(4)34)16(2)24(41-17(3)33)23-29(44-20(6)36)31(11,45-21(7)37)14-32(23,27(15)39)46-22(8)38/h12-13,15,23-26,29H,2,14H2,1,3-11H3/b13-12+/t15-,23+,24+,25+,26-,29-,31-,32-/m1/s1

inchikey

  • OFUTZNNUWRTXHO-RQGSMOOYSA-N

mass

  • 650.674

monoisotopicmass

  • 650.25746

smiles

  • O([C@@]12[C@]([C@@H](OC(=O)C)[C@](OC(=O)C)(C1)C)([C@@H](OC(=O)C)C([C@H](OC(=O)C)[C@@H](OC(=O)C)C(=O)C(C=C[C@H](C2=O)C)(C)C)=C)[H])C(=O)C

subset

  • 2_STAR

synonym EXACT

  • [(1R,2R,3aR,5R,6E,10R,11S,13R,13aS)-1,2,3a,10,11-pentaacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-13-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181532

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