(Q110177346)

English

[(5aS,5bR,7aS,11aR,11bS,13R,13aS)-13-acetyloxy-5b,8,8,13a-tetramethyl-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydrophenanthro[2,1-e][2]benzofuran-11a-yl]methyl 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

470.303224444 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₂O₅

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canonical SMILES

O=C(OCC12CCCC(C)(C)C2CCC3(C)C4CCC5=COC=C5C4(C)C(OC(=O)C)CC31)C

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isomeric SMILES

CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@@]1(C)[C@@H]3CCc4cocc4[C@@]3(C)[C@H](OC(C)=O)C[C@@H]12

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found in taxon

Psammocinia

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stated in

Cytotoxic scalarane sesterterpenes from a Korean marine sponge Psammocinia sp.

Identifiers

InChI

InChI=1S/C29H42O5/c1-18(30)33-17-29-12-7-11-26(3,4)22(29)10-13-27(5)23-9-8-20-15-32-16-21(20)28(23,6)25(14-24(27)29)34-19(2)31/h15-16,22-25H,7-14,17H2,1-6H3/t22-,23-,24-,25+,27-,28+,29+/m0/s1

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InChIKey

GKUPMXIBAJPGEY-AHJPRLFQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GKUPMXIBAJPGEY-AHJPRLFQSA-N

1 reference

(Q110177346)

[(5aS,5bR,7aS,11aR,11bS,13R,13aS)-13-acetyloxy-5b,8,8,13a-tetramethyl-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydrophenanthro[2,1-e][2]benzofuran-11a-yl]methyl acetate

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