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Chemistry, part 2

Content language

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Concept information

organooxygen compound > carbonyl compound > ketone > oxo steroid > penisimplicin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > oxo steroid > penisimplicin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > oxo steroid > penisimplicin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > oxo steroid > penisimplicin a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > oxo steroid > penisimplicin a
... > 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 > steroid > oxo steroid > penisimplicin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > oxo steroid > penisimplicin a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > oxo steroid > penisimplicin a

Preferred term

penisimplicin a  

Type

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

Broader concept

charge

  • 0

formula

  • C30H40O10

inchi

  • InChI=1S/C30H40O10/c1-14-13-17-27(6)12-11-18(33)26(4,5)20(27)19(38-15(2)31)22(39-16(3)32)29(17,8)21-23(34)40-30(9,25(36)37-10)24(35)28(14,21)7/h17,19-22H,1,11-13H2,2-10H3/t17-,19-,20+,21-,22+,27-,28+,29-,30-/m1/s1

inchikey

  • LIFWJOZSNQRGRS-IEKIUVEISA-N

mass

  • 560.640

monoisotopicmass

  • 560.26215

smiles

  • O=C1[C@@](OC(=O)[C@@H]2[C@@]1(C(=C)C[C@@H]3[C@@]4([C@H](C(C(=O)CC4)(C)C)[C@H]([C@@H]([C@@]23C)OC(=O)C)OC(=O)C)C)C)(C(=O)OC)C

subset

  • 2_STAR

synonym EXACT

  • methyl (2R,4aS,4bR,5R,6R,6aR,10aR,10bR,12aR)-5,6-diacetyloxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h]isochromene-2-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202443

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