(Q110189778)

English

[(3S,5aS,5bR,7aS,11aS,11bR,13R,13aS)-3-hydroxy-5b,8,8,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[2,1-e][2]benzofuran-13-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(3-hydroxy-5b,8,8,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[2,1-e][2]benzofuran-13-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

444.28757438 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₀O₅

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canonical SMILES

O=C1OC(O)C2=C1C3(C)C(OC(=O)C)CC4C5(C)CCCC(C)(C)C5CCC4(C)C3CC2

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isomeric SMILES

CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2CCC3=C(C(=O)O[C@@H]3O)[C@]21C

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found in taxon

Hyrtios gumminae

1 reference

stated in

Bioactive scalaranes from the Thai sponge Hyrtios gumminae

Identifiers

InChI

InChI=1S/C27H40O5/c1-15(28)31-20-14-19-25(4)12-7-11-24(2,3)17(25)10-13-26(19,5)18-9-8-16-21(27(18,20)6)23(30)32-22(16)29/h17-20,22,29H,7-14H2,1-6H3/t17-,18-,19+,20+,22-,25-,26-,27+/m0/s1

0 references

InChIKey

XGUHKTYJYSGWBX-DJJRYADZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XGUHKTYJYSGWBX-DJJRYADZSA-N

(Q110189778)

[(3S,5aS,5bR,7aS,11aS,11bR,13R,13aS)-3-hydroxy-5b,8,8,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[2,1-e][2]benzofuran-13-yl] acetate

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Identifiers

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