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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 > tetraterpenoid > carotenoid > xanthophyll > (all-e,2r,2'r)-2-(4-hydroxy-3-methylbut-2-enyl)-2'-(3-methylbut-2-enyl)-1',2'-dihydro-beta,psi-caroten-1'-ol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > tetraterpenoid > carotenoid > xanthophyll > (all-e,2r,2'r)-2-(4-hydroxy-3-methylbut-2-enyl)-2'-(3-methylbut-2-enyl)-1',2'-dihydro-beta,psi-caroten-1'-ol

Preferred term

(all-e,2r,2'r)-2-(4-hydroxy-3-methylbut-2-enyl)-2'-(3-methylbut-2-enyl)-1',2'-dihydro-beta,psi-caroten-1'-ol  

Type

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

Broader concept

charge

  • 0

formula

  • C50H74O2

inchi

  • InChI=1S/C50H74O2/c1-38(2)27-32-47(50(12,13)52)34-28-42(6)25-18-24-41(5)23-16-21-39(3)19-14-15-20-40(4)22-17-26-43(7)30-36-48-45(9)31-35-46(49(48,10)11)33-29-44(8)37-51/h14-27,29-30,36,46-47,51-52H,28,31-35,37H2,1-13H3/b15-14+,21-16+,22-17+,24-18+,36-30+,39-19+,40-20+,41-23+,42-25+,43-26+,44-29+/t46-,47-/m0/s1

inchikey

  • UOGZNTWAFCMEMT-CRMHKKGUSA-N

mass

  • 707.140

monoisotopicmass

  • 706.56888

smiles

  • OC([C@@H](CC=C(C)C)CC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(CC[C@@H](C1(C)C)C/C=C(/CO)/C)C)/C)/C)/C)/C)/C)(C)C

subset

  • 2_STAR

synonym EXACT

  • (3R,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-25-[(5R)-5-[(E)-4-hydroxy-3-methylbut-2-enyl]-2,6,6-trimethylcyclohexen-1-yl]-2,6,10,14,19,23-hexamethyl-3-(3-methylbut-2-enyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-ol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199063

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