(Q104988722)

English

(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,5R)-5,6-dimethylheptan-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-13-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5-(5,6-dimethylheptan-2-yl)-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadeca-8,18-dien-13-ol

1 reference

based on heuristic

inferred from SMILES

mass

428.329045268 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₄O₃

0 references

canonical SMILES

OC1CCC2(C3=CCC4(C)C(CCC4C53OOC2(C=C5)C1)C(C)CCC(C)C(C)C)C

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isomeric SMILES

CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4

0 references

found in taxon

Metridium senile

1 reference

stated in

A novel sterol peroxide from the sea anenome Metridium senile

Identifiers

InChI

InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h12,15-16,18-23,29H,7-11,13-14,17H2,1-6H3/t19-,20-,21+,22-,23-,25-,26-,27-,28+/m1/s1

0 references

InChIKey

DTHHHJHARPIYBK-YRJNGKHQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DTHHHJHARPIYBK-YRJNGKHQSA-N

(Q104988722)

(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,5R)-5,6-dimethylheptan-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-13-ol

Statements

Identifiers

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