(Q105229412)

English

(2R,7aR)-4,4,7a-trimethyl-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-6,11,15-trimethyl-17-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]heptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-2,5,6,7-tetrahydro-1-benzofuran

chemical compound

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type of chemical entity

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subclass of

4,4,7a-trimethyl-2-[(2E,4E,6E,8E)-6,11,15-trimethyl-17-(2,6,6-trimethylcyclohex-2-en-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-2,5,6,7-tetrahydro-1-benzofuran

1 reference

based on heuristic

inferred from SMILES

mass

552.433116412 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₆O

0 references

canonical SMILES

O1C(C=C2C1(C)CCCC2(C)C)C(=CC=CC(=CC=CC=C(C=CC=C(C=CC3C(=CCCC3(C)C)C)C)C)C)C

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isomeric SMILES

CC1=CCCC(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@H]1C=C2C(C)(C)CCC[C@@]2(C)O1

0 references

found in taxon

Calendula officinalis

1 reference

stated in

Studies in carotenogenesis. 13. The carotenoids of the flower petals of Calendula officinalis

Identifiers

InChI

InChI=1S/C40H56O/c1-30(19-13-20-32(3)24-25-35-33(4)23-15-26-38(35,6)7)17-11-12-18-31(2)21-14-22-34(5)36-29-37-39(8,9)27-16-28-40(37,10)41-36/h11-14,17-25,29,35-36H,15-16,26-28H2,1-10H3/b12-11+,19-13+,21-14+,25-24+,30-17+,31-18+,32-20+,34-22+/t35-,36+,40+/m0/s1

0 references

InChIKey

QWVMSYBGKWZIIE-IZBHPUJDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QWVMSYBGKWZIIE-IZBHPUJDSA-N

(Q105229412)

(2R,7aR)-4,4,7a-trimethyl-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-6,11,15-trimethyl-17-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]heptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-2,5,6,7-tetrahydro-1-benzofuran

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Identifiers

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