(Q105274987)

English

(1S,2R,3S,4S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,5S,6S)-5-hydroxy-2,2,6-trimethylcyclohexyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohexane-1,2-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

carotenoid

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mass

588.45424578 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₆₀O₃

0 references

canonical SMILES

OC1CC(C)(C)C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2C(C)C(O)CCC2(C)C)C)C)C)C)C(C)C1O

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isomeric SMILES

CC(/C=C/C=C(C)/C=C/[C@H]1[C@H](C)[C@@H](O)CCC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@H]1[C@H](C)[C@@H](O)[C@@H](O)CC1(C)C

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found in taxon

Fusinus perplexus

1 reference

stated in

Structures of carotenoids with 5,6-dihydro-beta-end groups from the spindle shell Fusinus perplexus

Identifiers

InChI

InChI=1S/C40H60O3/c1-28(17-13-19-30(3)21-23-34-32(5)36(41)25-26-39(34,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)38(43)37(42)27-40(35,9)10/h11-24,32-38,41-43H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t32-,33-,34-,35-,36-,37-,38+/m0/s1

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InChIKey

UKZNVYFIFVPGRZ-WCGTUELNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UKZNVYFIFVPGRZ-WCGTUELNSA-N

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

15 January 2022

InChIKey

UKZNVYFIFVPGRZ-WCGTUELNSA-N

(Q105274987)

(1S,2R,3S,4S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,5S,6S)-5-hydroxy-2,2,6-trimethylcyclohexyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohexane-1,2-diol

Statements

Identifiers

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