(Q105146709)

English

(2E)-2-[(2R,3S,4S)-4-hydroxy-2-(3-hydroxypropyl)-3-[(3E,5R,7E)-5-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dimethylcyclohexylidene]propanal

chemical compound

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type of chemical entity

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subclass of

(2E)-2-[(2R,3S,4S)-4-hydroxy-2-(3-hydroxypropyl)-3-[(3Z,7E)-5-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dimethylcyclohexylidene]propanal

1 reference

1 reference

2-[4-Hydroxy-2-(3-hydroxypropyl)-3-(5-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dimethylcyclohexylidene]propanal

1 reference

based on heuristic

inferred from SMILES

mass

474.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2Z)-2-[(2S,3R,4R)-4-hydroxy-2-(3-hydroxypropyl)-3-[(3E,5R,7E)-5-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dimethylcyclohexylidene]propanal

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₀H₅₀O₄

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Iris domestica

2 references

stated in

Iridals from Iris tectorum and Belamcanda chinensis

stated in

Iridals from Iris tectorum and Belamcanda chinensis

Iris tectorum

2 references

stated in

Isolation and structure determination of triterpenes from Iris tectorum

stated in

Isolation and structure determination of triterpenes from Iris tectorum

Identifiers

InChI

InChI=1S/C30H50O4/c1-22(2)11-8-12-23(3)15-16-28(33)24(4)13-9-18-29(6)27(14-10-20-31)26(25(5)21-32)17-19-30(29,7)34/h11,13,15,21,27-28,31,33-34H,8-10,12,14,16-20H2,1-7H3/b23-15+,24-13+,26-25+/t27-,28-,29+,30+/m1/s1

0 references

InChIKey

KVTCHSWVSFQOTP-PSXUXZKFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105146709)

(2E)-2-[(2R,3S,4S)-4-hydroxy-2-(3-hydroxypropyl)-3-[(3E,5R,7E)-5-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dimethylcyclohexylidene]propanal

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