(Q105241138)

English

(1S,2R,4R,5S,8R,9S,13R,14S,17S,18S,20S)-2-hydroxy-9-(hydroxymethyl)-5,9,13-trimethyl-19,21,24-trioxahexacyclo[16.5.1.01,20.04,17.05,14.08,13]tetracosan-22-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-hydroxy-9-(hydroxymethyl)-5,9,13-trimethyl-19,21,24-trioxahexacyclo[16.5.1.0¹,²⁰.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-22-one

1 reference

1 reference

434.266838936 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₈O₆

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canonical SMILES

O=C1OC2OC3OC2(C1)C(O)CC4C3CCC5C4(C)CCC6C(C)(CO)CCCC65C

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isomeric SMILES

C[C@]1(CO)CCC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]5O[C@H]6OC(=O)C[C@]6(O5)[C@H](O)C[C@H]4[C@]3(C)CC[C@@H]12

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found in taxon

Petrosaspongia nigra

1 reference

stated in

New cytotoxic sesterterpenes from the New Caledonian marine sponge Petrosaspongia nigra (Bergquist)

Identifiers

InChI

InChI=1S/C25H38O6/c1-22(13-26)8-4-9-24(3)16(22)7-10-23(2)15-11-18(27)25-12-19(28)29-21(25)30-20(31-25)14(15)5-6-17(23)24/h14-18,20-21,26-27H,4-13H2,1-3H3/t14-,15+,16-,17-,18+,20+,21+,22+,23-,24-,25-/m0/s1

0 references

InChIKey

RMYAHSJORMLQLI-REZXIXSRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RMYAHSJORMLQLI-REZXIXSRSA-N

(Q105241138)

(1S,2R,4R,5S,8R,9S,13R,14S,17S,18S,20S)-2-hydroxy-9-(hydroxymethyl)-5,9,13-trimethyl-19,21,24-trioxahexacyclo[16.5.1.01,20.04,17.05,14.08,13]tetracosan-22-one

Statements

Identifiers

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