(Q104908848)

English

(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15Z,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

4-[(7Z,9E,11E,13E,15E,17E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol

1 reference

based on heuristic

inferred from SMILES

4-[(1E,3E,5E,7E,9E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol

1 reference

based on heuristic

inferred from SMILES

beta,psi-Caroten-3-ol

1 reference

based on heuristic

inferred from SMILES

4-[(17E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol

1 reference

based on heuristic

inferred from SMILES

4-[(1E,3E,5E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol

1 reference

based on heuristic

inferred from SMILES

4-[(1E,3E,5E,7E,9E,11E,13E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol

1 reference

based on heuristic

inferred from SMILES

4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol

1 reference

based on heuristic

inferred from SMILES

mass

552.433116412 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R)-4-[(1E,3E,5E,7Z,9E,11E,13E,15E,17E,19Z)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R)-4-[(1E,3E,5E,7E,9E,11Z,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol

1 reference

based on heuristic

inferred from InChI

(1R)-4-[(1E,3E,5E,7Z,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol

1 reference

based on heuristic

inferred from InChI

(5'Z,9'Z)-Rubixanthin

1 reference

based on heuristic

inferred from InChI

(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17Z,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol

1 reference

1 reference

1 reference

C₄₀H₅₆O

0 references

canonical SMILES

OC1CC(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C)CCC=C(C)C)C)C)C)C)C(C)(C)C1)C

0 references

isomeric SMILES

CC(C)=CCC/C(C)=C/C=C/C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C

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found in taxon

Rosa pomifera

1 reference

stated in

Das Carotinoidspektrum der Hagebutten vonRosa pomifera: Nachweis von (5Z)-Neurosporin; Synthese von (3R, 15Z)-Rubixanthin

Rosa villosa

1 reference

stated in

Das Carotinoidspektrum der Hagebutten vonRosa pomifera: Nachweis von (5Z)-Neurosporin; Synthese von (3R, 15Z)-Rubixanthin

Identifiers

InChI

InChI=1S/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24-,36-26+/t38-/m1/s1

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InChIKey

ABTRFGSPYXCGMR-QMBZLYRDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ABTRFGSPYXCGMR-QMBZLYRDSA-N

1 reference

(Q104908848)

(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15Z,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol

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