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Substance Name: Sarcinaxanthin
RN: 11031-47-3
InChIKey: XFXHBQLETDDGGF-XUYZKQIISA-N

Molecular Formula

  • C50-H72-O2

Molecular Weight

  • 705.1168
 
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Names and Synonyms

Name of Substance

  • Sarcinaxanthin

Systematic Name

  • beta,beta-Carotene, 5,5',18,18'-tetradehydro-5,5',6,6'-tetrahydro-2,2'-bis(4-hydroxy-3-methyl-2-butenyl)-, (2R(E),2'R(E),6R,6'R)-

Registry Numbers

CAS Registry Number

  • 11031-47-3

System Generated Number

  • 0011031473

Structure Descriptors

InChI

1S/C50H72O2/c1-37(19-15-21-39(3)25-33-47-43(7)27-31-45(49(47,9)10)29-23-41(5)35-51)17-13-14-18-38(2)20-16-22-40(4)26-34-48-44(8)28-32-46(50(48,11)12)30-24-42(6)36-52/h13-26,33-34,45-48,51-52H,7-8,27-32,35-36H2,1-6,9-12H3/b14-13+,19-15+,20-16+,33-25+,34-26+,37-17+,38-18+,39-21+,40-22+,41-23+,42-24+/t45-,46-,47+,48+/m0/s1

InChIKey

XFXHBQLETDDGGF-XUYZKQIISA-N

Smiles

C\C(=C/C[C@H]1CCC(=C)[C@@H](\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@@H]2C(=C)CC[C@H](C\C=C(/C)\CO)C2(C)C)\C)\C)C1(C)C)\CO