(Q105271018)

English

(2S)-2-[(1S,2S,5R,8S)-2-hydroxy-8-(3-hydroxypropyl)-2-methyl-1-[(3E,5E)-4-methyl-6-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]hexa-3,5-dienyl]-6-oxabicyclo[3.2.1]octan-5-yl]propanal

chemical compound

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instance of

type of chemical entity

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subclass of

2-[2-Hydroxy-8-(3-hydroxypropyl)-2-methyl-1-[4-methyl-6-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hexa-3,5-dienyl]-6-oxabicyclo[3.2.1]octan-5-yl]propanal

1 reference

based on heuristic

inferred from SMILES

mass

486.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₀O₄

0 references

canonical SMILES

O=CC(C)C12OCC(CCC=C(C=CC3C(=CCC(C)C3(C)C)C)C)(C1CCCO)C(O)(C)CC2

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isomeric SMILES

CC1=CC[C@H](C)C(C)(C)[C@@H]1/C=C/C(C)=C/CC[C@]12CO[C@]([C@H](C)C=O)(CC[C@]1(C)O)[C@H]2CCCO

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found in taxon

Iris pallida

1 reference

stated in

Structure Determination of New Iridals fromIris pallida andIris foetidissima

Identifiers

InChI

InChI=1S/C31H50O4/c1-22(12-15-26-23(2)13-14-24(3)28(26,5)6)10-8-16-30-21-35-31(25(4)20-33,18-17-29(30,7)34)27(30)11-9-19-32/h10,12-13,15,20,24-27,32,34H,8-9,11,14,16-19,21H2,1-7H3/b15-12+,22-10+/t24-,25+,26+,27-,29-,30+,31-/m0/s1

0 references

InChIKey

UENBQPOCUNCOEH-OHLQQEJASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UENBQPOCUNCOEH-OHLQQEJASA-N

(Q105271018)

(2S)-2-[(1S,2S,5R,8S)-2-hydroxy-8-(3-hydroxypropyl)-2-methyl-1-[(3E,5E)-4-methyl-6-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]hexa-3,5-dienyl]-6-oxabicyclo[3.2.1]octan-5-yl]propanal

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