(Q104665435)

English

(2Z)-2-[(1S,3S,5R,6S,10R)-1,6-dihydroxy-10-(3-hydroxypropyl)-6-methyl-3-[(1E,3E,5E,7E)-2,6,10-trimethylundeca-1,3,5,7,9-pentaenyl]-2-oxaspiro[4.5]decan-9-ylidene]propanal

chemical compound

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instance of

type of chemical entity

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subclass of

2-[(7Z)-1,10-dihydroxy-6-(3-hydroxypropyl)-10-methyl-3-[(1E,3E,5E,7E)-2,6,10-trimethylundeca-1,3,5,7,9-pentaen-1-yl]-2-oxaspiro[4.5]decan-7-ylidene]propanal

1 reference

based on heuristic

inferred from SMILES

2-[1,6-Dihydroxy-10-(3-hydroxypropyl)-6-methyl-3-(2,6,10-trimethylundeca-1,3,5,7,9-pentaenyl)-2-oxaspiro[4.5]decan-9-ylidene]propanal

1 reference

based on heuristic

inferred from SMILES

mass

484.318874508 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2Z)-2-[(1R,3S,5R,6S,10R)-1,6-dihydroxy-10-(3-hydroxypropyl)-6-methyl-3-[(1E,3E,5E,7E)-2,6,10-trimethylundeca-1,3,5,7,9-pentaenyl]-2-oxaspiro[4.5]decan-9-ylidene]propanal

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₄O₅

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canonical SMILES

O=CC(=C1CCC(O)(C)C2(CC(OC2O)C=C(C=CC=C(C=CC=C(C)C)C)C)C1CCCO)C

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isomeric SMILES

CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/[C@@H]1C[C@@]2([C@@H](O)O1)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O

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found in taxon

Tigridia pavonia

1 reference

stated in

Structure Determination of Tigridial, an Iridopentaene fromTigridia pavonia (Iridaceae)

Identifiers

InChI

InChI=1S/C30H44O5/c1-21(2)10-7-11-22(3)12-8-13-23(4)18-25-19-30(28(33)35-25)27(14-9-17-31)26(24(5)20-32)15-16-29(30,6)34/h7-8,10-13,18,20,25,27-28,31,33-34H,9,14-17,19H2,1-6H3/b11-7+,13-8+,22-12+,23-18+,26-24-/t25-,27-,28+,29+,30+/m1/s1

0 references

InChIKey

GRUFCNNJWIBQMG-MZGKLJOFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GRUFCNNJWIBQMG-MZGKLJOFSA-N

1 reference

(Q104665435)

(2Z)-2-[(1S,3S,5R,6S,10R)-1,6-dihydroxy-10-(3-hydroxypropyl)-6-methyl-3-[(1E,3E,5E,7E)-2,6,10-trimethylundeca-1,3,5,7,9-pentaenyl]-2-oxaspiro[4.5]decan-9-ylidene]propanal

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