(Q105212073)

English

methyl (2R)-2-[(3R,6S)-6-[(2R,3aR,4aS,8aR,9aR)-4,4,7,9a-tetramethyl-2,3,3a,4a,5,6,8a,9-octahydrobenzo[f][1]benzofuran-2-yl]-6-methyldioxan-3-yl]propanoate

chemical compound

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type of chemical entity

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subclass of

methyl (2R)-2-[(3R,6S)-6-[(2R,4aS,8aR,9aR)-4,4,7,9a-tetramethyl-2H,3H,3aH,4aH,5H,6H,8aH,9H-naphtho[2,3-b]furan-2-yl]-6-methyl-1,2-dioxan-3-yl]propanoate

1 reference

based on heuristic

inferred from SMILES

methyl 2-(6-{4,4,7,9a-tetramethyl-2H,3H,3aH,4aH,5H,6H,8aH,9H-naphtho[2,3-b]furan-2-yl}-6-methyl-1,2-dioxan-3-yl)propanoate

1 reference

based on heuristic

inferred from SMILES

mass

420.28757438 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₀O₅

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canonical SMILES

O=C(OC)C(C)C1OOC(C)(CC1)C2OC3(C)CC4C=C(C)CCC4C(C)(C)C3C2

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isomeric SMILES

COC(=O)[C@H](C)[C@H]1CC[C@@](C)([C@H]2C[C@@H]3C(C)(C)[C@H]4CCC(C)=C[C@H]4C[C@@]3(C)O2)OO1

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found in taxon

Latrunculia brevis

1 reference

stated in

Trunculins A and B, norsesterterpene cyclic peroxides from a marine sponge, Latrunculia brevis

Identifiers

InChI

InChI=1S/C25H40O5/c1-15-8-9-18-17(12-15)14-25(6)20(23(18,3)4)13-21(28-25)24(5)11-10-19(29-30-24)16(2)22(26)27-7/h12,16-21H,8-11,13-14H2,1-7H3/t16-,17+,18+,19-,20-,21-,24+,25-/m1/s1

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InChIKey

PNOATZDSQDNWLZ-NJXQHIOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PNOATZDSQDNWLZ-NJXQHIOYSA-N

1 reference

(Q105212073)

methyl (2R)-2-[(3R,6S)-6-[(2R,3aR,4aS,8aR,9aR)-4,4,7,9a-tetramethyl-2,3,3a,4a,5,6,8a,9-octahydrobenzo[f][1]benzofuran-2-yl]-6-methyldioxan-3-yl]propanoate

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