(Q105146708)

English

(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

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

based on heuristic

inferred from SMILES

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

1 reference

1 reference

474.37091008 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O₄

0 references

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

0 references

found in taxon

Iris missouriensis

1 reference

stated in

Plant anticancer agents XXXIX: Triterpenes from Iris missouriensis (Iridaceae)

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+/m0/s1

0 references

InChIKey

KVTCHSWVSFQOTP-MLCUZWMQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KVTCHSWVSFQOTP-MLCUZWMQSA-N

(Q105146708)

(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

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