(Q104665492)

English

(2Z)-2-[(2R,3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-(3-hydroxypropyl)-4-methyl-3-[(3E,5E,7E)-4,8,12-trimethyltrideca-3,5,7,11-tetraenyl]cyclohexylidene]propanal

chemical compound

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instance of

type of chemical entity

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subclass of

2-[4-Hydroxy-3-(hydroxymethyl)-2-(3-hydroxypropyl)-4-methyl-3-(4,8,12-trimethyltrideca-3,5,7,11-tetraenyl)cyclohexylidene]propanal

1 reference

based on heuristic

inferred from SMILES

mass

472.355260016 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₄

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canonical SMILES

O=CC(=C1CCC(O)(C)C(CO)(CCC=C(C=CC=C(C)CCC=C(C)C)C)C1CCCO)C

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isomeric SMILES

CC(C)=CCC/C(C)=C/C=C/C(C)=C/CC[C@@]1(CO)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O

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found in taxon

Tigridia pavonia

1 reference

stated in

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

Iris x germanica

1 reference

stated in

Localization of iridals in Iris germanica rhizomes

Iris pallida

1 reference

stated in

Structure Determination of New Iridals fromIris pallida andIris foetidissima

Identifiers

InChI

InChI=1S/C30H48O4/c1-23(2)11-7-12-24(3)13-8-14-25(4)15-9-18-30(22-33)28(16-10-20-31)27(26(5)21-32)17-19-29(30,6)34/h8,11,13-15,21,28,31,33-34H,7,9-10,12,16-20,22H2,1-6H3/b14-8+,24-13+,25-15+,27-26-/t28-,29+,30-/m1/s1

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InChIKey

XNRQWWCTSMJFJI-CLPZTGEKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XNRQWWCTSMJFJI-CLPZTGEKSA-N

1 reference

(Q104665492)

(2Z)-2-[(2R,3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-(3-hydroxypropyl)-4-methyl-3-[(3E,5E,7E)-4,8,12-trimethyltrideca-3,5,7,11-tetraenyl]cyclohexylidene]propanal

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