(Q105255470)

English

[(5aS,5bR,7aR,8S,11aR,11bR,13R,13aS,13bR)-13-acetyloxy-5b,8,11a,13a-tetramethyl-3-oxo-5,5a,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e][2]benzofuran-8-yl]methyl acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(13-acetyloxy-5b,8,11a,13a-tetramethyl-3-oxo-5,5a,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e][2]benzofuran-8-yl)methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

486.298139064 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(5aS,5bR,7aR,8R,11aR,11bR,13R,13aS,13bR)-13-acetyloxy-5b,8,11a,13a-tetramethyl-3-oxo-5,5a,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e][2]benzofuran-8-yl]methyl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₂O₆

0 references

canonical SMILES

O=C1OCC2C1=CCC3C4(C)CCC5C(C)(COC(=O)C)CCCC5(C)C4CC(OC(=O)C)C23C

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isomeric SMILES

CC(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C4C(=O)OC[C@@H]4[C@@]3(C)[C@H](OC(C)=O)C[C@@H]12

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found in taxon

Hyrtios erectus

2 references

stated in

Hyrtiazepine, an azepino-indole-type alkaloid from the Red Sea marine sponge Hyrtios erectus.

stated in

Hyrtiosins A-E, Five New Scalarane Sesterterpenes from the South China Sea SpongeHyrtios erecta

Identifiers

InChI

InChI=1S/C29H42O6/c1-17(30)34-16-26(3)11-7-12-27(4)21(26)10-13-28(5)22-9-8-19-20(15-33-25(19)32)29(22,6)24(14-23(27)28)35-18(2)31/h8,20-24H,7,9-16H2,1-6H3/t20-,21-,22-,23+,24+,26+,27-,28-,29+/m0/s1

0 references

InChIKey

SLOGIEGONFUYCH-NJLWSQERSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105255470)

[(5aS,5bR,7aR,8S,11aR,11bR,13R,13aS,13bR)-13-acetyloxy-5b,8,11a,13a-tetramethyl-3-oxo-5,5a,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e][2]benzofuran-8-yl]methyl acetate

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Identifiers

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