skip to main content

Chemistry, part 2

Content language

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

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > sesterterpenoid > scalarane sesterterpenoid > 2-[[(5as,5bs,7s,7as,11as,11bs,13as)-11a-(acetyloxymethyl)-5b,8,8,13a-tetramethyl-3-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-1h-phenanthro[2,1-e][2]benzouran-7-yl]oxymethoxy]acetic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesterterpenoid > scalarane sesterterpenoid > 2-[[(5as,5bs,7s,7as,11as,11bs,13as)-11a-(acetyloxymethyl)-5b,8,8,13a-tetramethyl-3-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-1h-phenanthro[2,1-e][2]benzouran-7-yl]oxymethoxy]acetic acid

Preferred term

2-[[(5as,5bs,7s,7as,11as,11bs,13as)-11a-(acetyloxymethyl)-5b,8,8,13a-tetramethyl-3-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-1h-phenanthro[2,1-e][2]benzouran-7-yl]oxymethoxy]acetic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H44O8

inchi

  • InChI=1S/C30H44O8/c1-18(31)37-16-30-11-6-10-27(2,3)25(30)21(38-17-35-15-24(32)33)13-29(5)22-8-7-19-20(14-36-26(19)34)28(22,4)12-9-23(29)30/h21-23,25H,6-17H2,1-5H3,(H,32,33)/t21-,22+,23-,25-,28+,29-,30-/m0/s1

inchikey

  • YZHMCAWTTNDYLH-BZQJNMKMSA-N

mass

  • 532.674

monoisotopicmass

  • 532.30362

smiles

  • O=C1OCC2=C1CC[C@@H]3[C@@]2(CC[C@H]4[C@]3(C[C@H](OCOCC(=O)O)[C@@H]5[C@@]4(CCCC5(C)C)COC(=O)C)C)C

subset

  • 2_STAR

synonym EXACT

  • 2-[[(5aS,5bS,7S,7aS,11aS,11bS,13aS)-11a-(acetyloxymethyl)-5b,8,8,13a-tetramethyl-3-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-1H-phenanthro[2,1-e][2]benzouran-7-yl]oxymethoxy]acetic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217629

Download this concept:

RDF/XML TURTLE JSON-LD