(Q105197359)

English

(1S,4R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-ol

chemical compound

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type of chemical entity

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subclass of

3,5,5-trimethyl-4-[(9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-ol

1 reference

based on heuristic

inferred from SMILES

mass

552.433116412 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₀H₅₆O

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canonical SMILES

OC1C=C(C)C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2=C(C)CCCC2(C)C)C)C)C)C)C(C)(C)C1

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isomeric SMILES

CC1=C[C@@H](O)CC(C)(C)[C@H]1/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)CCCC1(C)C

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found in taxon

Physalis alkekengi

1 reference

stated in

Über die Carotinoide mit α-Struktur aus Physalis Alkekengi. Änderung des Gehaltes an α-Carotin, Physoxanthin und Lutein mit fortschreitender Reife

Physalis lagascae

1 reference

stated in

Über die Carotinoide mit α-Struktur aus Physalis Alkekengi. Änderung des Gehaltes an α-Carotin, Physoxanthin und Lutein mit fortschreitender Reife

Physalis minima

1 reference

stated in

Über die Carotinoide mit α-Struktur aus Physalis Alkekengi. Änderung des Gehaltes an α-Carotin, Physoxanthin und Lutein mit fortschreitender Reife

Identifiers

InChI

InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,28,36,38,41H,15,22,27,29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,38+/m1/s1

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InChIKey

ORAKUVXRZWMARG-ZNESFSIESA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105197359)

(1S,4R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-ol

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