(Q110179893)

English

Xestosaprol I

chemical compound

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No label defined

No description defined

Statements

type of chemical entity

0 references

chemical compound

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306.125594436 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₁₈O₃

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canonical SMILES

O=C1C=2OCC3C2C(C4=CC=5C=CC=CC5C=C14)(C)CCC3O

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isomeric SMILES

C[C@@]12CC[C@@H](O)[C@@H]3COC(=C31)C(=O)c1cc3ccccc3cc12

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1 reference

Xestosaprols from the Indonesian marine sponge Xestospongia sp.

Identifiers

InChI=1S/C20H18O3/c1-20-7-6-16(21)14-10-23-19(17(14)20)18(22)13-8-11-4-2-3-5-12(11)9-15(13)20/h2-5,8-9,14,16,21H,6-7,10H2,1H3/t14-,16+,20-/m0/s1

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PWROZXKBOIMYBW-NBQZKYEYSA-N

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2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

PWROZXKBOIMYBW-NBQZKYEYSA-N

UniChem compound ID

1 reference

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