(Q105170892)

English

(2Z)-2-[(2R,3S,4S)-4-Hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(3E,5E)-4-methyl-6-[(1R,3S)-2,2,3-trimethyl-6-methylenecyclohexyl]-3,5-hexadien-1-yl]cyclohexylidene]propanal

chemical compound

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type of chemical entity

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subclass of

2-[4-Hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[4-methyl-6-(2,2,3-trimethyl-6-methylidenecyclohexyl)hexa-3,5-dienyl]cyclohexylidene]propanal

1 reference

based on heuristic

inferred from SMILES

mass

470.37599546 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₁H₅₀O₃

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canonical SMILES

O=CC(=C1CCC(O)(C)C(C)(CCC=C(C=CC2C(=C)CCC(C)C2(C)C)C)C1CCCO)C

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isomeric SMILES

C=C1CC[C@H](C)C(C)(C)[C@@H]1/C=C/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 x germanica

1 reference

stated in

New piscicidal triterpenes from Iris germanica.

Identifiers

InChI

InChI=1S/C31H50O3/c1-22(13-16-27-23(2)14-15-25(4)29(27,5)6)11-9-18-30(7)28(12-10-20-32)26(24(3)21-33)17-19-31(30,8)34/h11,13,16,21,25,27-28,32,34H,2,9-10,12,14-15,17-20H2,1,3-8H3/b16-13+,22-11+,26-24-/t25-,27+,28+,30-,31-/m0/s1

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InChIKey

MRSCOQQAXLCERG-SRLAVATGSA-N

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CAS Registry Number

168301-26-6

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MRSCOQQAXLCERG-SRLAVATGSA-N

1 reference

1 reference

matched by identifier from

InChIKey

MRSCOQQAXLCERG-SRLAVATGSA-N

(Q105170892)

(2Z)-2-[(2R,3S,4S)-4-Hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(3E,5E)-4-methyl-6-[(1R,3S)-2,2,3-trimethyl-6-methylenecyclohexyl]-3,5-hexadien-1-yl]cyclohexylidene]propanal

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