skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

هیگین سیانین A  

Type

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

Broader concept

charge

  • 0

formula

  • C28H40O4

inchi

  • InChI=1S/C28H40O4/c1-16(2)13-20-15-27(7)23-10-9-17(3)22(26(23,6)11-12-28(27,8)32-20)14-21-24(29)18(4)19(5)31-25(21)30/h13,20,22-23,29H,3,9-12,14-15H2,1-2,4-8H3/t20-,22-,23-,26-,27+,28-/m1/s1

inchikey

  • JCMQWUXCWUAYCA-VNLNXZIKSA-N

mass

  • 440.624

monoisotopicmass

  • 440.29266

smiles

  • O=C1OC(=C(C)C(=C1C[C@@H]2C(=C)CC[C@@H]3[C@@]2(CC[C@@]4([C@]3(C[C@@H](C=C(C)C)O4)C)C)C)O)C

subset

  • 2_STAR

synonym EXACT

  • 3-[[(2S,3aR,5aR,6R,9aR,9bS)-3a,5a,9b-trimethyl-7-methylidene-2-(2-methylprop-1-enyl)-1,2,4,5,6,8,9,9a-octahydrobenzo[e][1]benzouran-6-yl]methyl]-4-hydroxy-5,6-dimethylpyran-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227069

Download this concept: