(Q104963042)

English

2-[(1R,2S,5S,6S,9Z,10R)-1,6-Dihydroxy-6-methyl-10-(3-hydroxypropyl)-2-[(2E,4E)-5,9-dimethyl-1-methylene-2,4,8-decatrienyl]spiro[4.5]decan-9-ylidene]propanal

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-[3-(6,10-Dimethylundeca-1,3,5,9-tetraen-2-yl)-4,10-dihydroxy-6-(3-hydroxypropyl)-10-methylspiro[4.5]decan-7-ylidene]propanal

1 reference

based on heuristic

inferred from SMILES

mass

470.339609952 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2Z)-2-[(3R,4S,5S,6R,10S)-3-[(3E,5E)-6,10-dimethylundeca-1,3,5,9-tetraen-2-yl]-4,10-dihydroxy-6-(3-hydroxypropyl)-10-methylspiro[4.5]decan-7-ylidene]propanal

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₆O₄

0 references

canonical SMILES

O=CC(=C1CCC(O)(C)C2(CCC(C(=C)C=CC=C(C)CCC=C(C)C)C2O)C1CCCO)C

0 references

isomeric SMILES

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

0 references

found in taxon

Iris domestica

3 references

stated in

Iridal-type triterpenoids with ichthyotoxic activity from belamcanda chinensis

stated in

Iridals from Belamcanda chinensis and Iris japonica

stated in

Iridals from Iris tectorum and Belamcanda chinensis

Iris foetidissima

1 reference

stated in

Structure Determination of a New Spirobicyclic Triterpenoid fromIris foetidissima

Iris japonica

1 reference

stated in

Iridals from Belamcanda chinensis and Iris japonica

Identifiers

InChI

InChI=1S/C30H46O4/c1-21(2)10-7-11-22(3)12-8-13-23(4)26-16-18-30(28(26)33)27(14-9-19-31)25(24(5)20-32)15-17-29(30,6)34/h8,10,12-13,20,26-28,31,33-34H,4,7,9,11,14-19H2,1-3,5-6H3/b13-8+,22-12+,25-24-/t26-,27+,28+,29-,30-/m0/s1

0 references

InChIKey

CKYPHBIOFUNLLX-GUUGYBTRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CKYPHBIOFUNLLX-GUUGYBTRSA-N

1 reference

(Q104963042)

2-[(1R,2S,5S,6S,9Z,10R)-1,6-Dihydroxy-6-methyl-10-(3-hydroxypropyl)-2-[(2E,4E)-5,9-dimethyl-1-methylene-2,4,8-decatrienyl]spiro[4.5]decan-9-ylidene]propanal

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