(Q104968223)

English

3,5-dihydroxy-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-2-(3-methylbutanoyl)-6,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3,5-Dihydroxy-4-[(2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl)methyl]-2-(3-methylbutanoyl)-6,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one

1 reference

based on heuristic

inferred from SMILES

mass

498.334524572 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₆O₅

0 references

canonical SMILES

O=C(C1=C(O)C(=C(O)C(C1=O)(CC=C(C)C)CC=C(C)C)CC2C(C(=C)C)CCC2(O)C)CC(C)C

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isomeric SMILES

C=C(C)[C@H]1CC[C@](C)(O)[C@@H]1CC1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C1O

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found in taxon

Hypericum ascyron

1 reference

stated in

Tomoeones A-H, cytotoxic phloroglucinol derivatives from Hypericum ascyron

Identifiers

InChI

InChI=1S/C31H46O5/c1-18(2)10-14-31(15-11-19(3)4)28(34)23(17-24-22(21(7)8)12-13-30(24,9)36)27(33)26(29(31)35)25(32)16-20(5)6/h10-11,20,22,24,33-34,36H,7,12-17H2,1-6,8-9H3/t22-,24-,30+/m1/s1

0 references

InChIKey

CQSNGMUTSWOJCX-NETJKIJISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CQSNGMUTSWOJCX-NETJKIJISA-N

(Q104968223)

3,5-dihydroxy-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-2-(3-methylbutanoyl)-6,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one

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