(Q110179265)

English

[(1R,3S,3aR,5R,5aR,6S,8aS,8bR)-1-acetyloxy-8b-hydroxy-6-methoxy-2,2,5,8a-tetramethyl-3,3a,4,5,5a,6,7,8-octahydro-1H-acenaphthylen-3-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

382.235538808 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₄O₆

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canonical SMILES

O=C(OC1CC(C)C2C(OC)CCC3(C)C(OC(=O)C)C(C)(C)C1C23O)C

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isomeric SMILES

CO[C@H]1CC[C@@]2(C)[C@H](OC(C)=O)C(C)(C)[C@@H]3[C@@H](OC(C)=O)C[C@@H](C)[C@H]1[C@@]32O

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found in taxon

Geniculosporium

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stated in

Botryane metabolites from the fungus Geniculosporium sp. isolated from the marine red alga Polysiphonia.

Nemania

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stated in

Botryane metabolites from the fungus Geniculosporium sp. isolated from the marine red alga Polysiphonia.

Identifiers

InChI

InChI=1S/C21H34O6/c1-11-10-15(26-12(2)22)17-19(4,5)18(27-13(3)23)20(6)9-8-14(25-7)16(11)21(17,20)24/h11,14-18,24H,8-10H2,1-7H3/t11-,14+,15+,16-,17+,18-,20+,21-/m1/s1

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InChIKey

PKPLUXCTSIEECK-BFGMNKOTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PKPLUXCTSIEECK-BFGMNKOTSA-N

1 reference

(Q110179265)

[(1R,3S,3aR,5R,5aR,6S,8aS,8bR)-1-acetyloxy-8b-hydroxy-6-methoxy-2,2,5,8a-tetramethyl-3,3a,4,5,5a,6,7,8-octahydro-1H-acenaphthylen-3-yl] acetate

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Identifiers

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