(Q105124992)

English

(2Z,4E,6E,8E,10E,12E,14E,16E,18E)-3-hydroxy-1-[(1S,4R)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethyl-19-(2,3,4-trimethylphenyl)nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one

chemical compound

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type of chemical entity

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subclass of

3-Hydroxy-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethyl-19-(2,3,4-trimethylphenyl)nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one

1 reference

based on heuristic

inferred from SMILES

(2Z,4E,6E,8E,10E)-3-hydroxy-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethyl-19-(2,3,4-trimethylphenyl)nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one

1 reference

based on heuristic

inferred from SMILES

mass

580.391645524 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₀H₅₂O₃

0 references

canonical SMILES

O=C(C=C(O)C(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=CC=C(C(=C1C)C)C)C)C)C)C)C2(C)CC(O)CC2(C)C

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isomeric SMILES

CC(/C=C/C=C(C)/C=C/c1ccc(C)c(C)c1C)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@@]1(C)C[C@H](O)CC1(C)C

0 references

found in taxon

Agelas schmidti

1 reference

stated in

Carotinoide aus marinen Schwämmen (Porifera): Isolierung und Struktur von sieben Hauptcarotinoiden ausAgelas schmidtii

Identifiers

InChI

InChI=1S/C40H52O3/c1-28(17-13-18-30(3)21-23-35-24-22-31(4)33(6)34(35)7)15-11-12-16-29(2)19-14-20-32(5)37(42)25-38(43)40(10)27-36(41)26-39(40,8)9/h11-25,36,41-42H,26-27H2,1-10H3/b12-11+,17-13+,19-14+,23-21+,28-15+,29-16+,30-18+,32-20+,37-25-/t36-,40-/m1/s1

0 references

InChIKey

JCNLLLQYNIILBJ-VCHZWVHSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JCNLLLQYNIILBJ-VCHZWVHSSA-N

(Q105124992)

(2Z,4E,6E,8E,10E,12E,14E,16E,18E)-3-hydroxy-1-[(1S,4R)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethyl-19-(2,3,4-trimethylphenyl)nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one

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