(Q110189776)

English

(3R,4R,5aS,5bR,7aS,11aS,11bR,13R,13aS)-3,4,13-trihydroxy-5b,8,8,11a,13a-pentamethyl-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[1,2-g][2]benzofuran-1-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3,4,13-trihydroxy-5b,8,8,11a,13a-pentamethyl-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[1,2-g][2]benzofuran-1-one

1 reference

based on heuristic

inferred from SMILES

mass

418.271924316 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₈O₅

0 references

canonical SMILES

O=C1OC(O)C2=C1C3(C)C(O)CC4C5(C)CCCC(C)(C)C5CCC4(C)C3CC2O

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isomeric SMILES

CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@@H](O)C4=C(C(=O)O[C@H]4O)[C@@]3(C)[C@H](O)C[C@H]21

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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/C25H38O5/c1-22(2)8-6-9-23(3)14(22)7-10-24(4)15(23)12-17(27)25(5)16(24)11-13(26)18-19(25)21(29)30-20(18)28/h13-17,20,26-28H,6-12H2,1-5H3/t13-,14+,15-,16+,17-,20-,23+,24-,25-/m1/s1

0 references

InChIKey

XOOYWQIVYHRNAO-URHBTJLDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XOOYWQIVYHRNAO-URHBTJLDSA-N

(Q110189776)

(3R,4R,5aS,5bR,7aS,11aS,11bR,13R,13aS)-3,4,13-trihydroxy-5b,8,8,11a,13a-pentamethyl-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[1,2-g][2]benzofuran-1-one

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Identifiers

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