(Q110178147)

English

(1R,5aS,5bS,7aS,11aR,11bS,13aS)-1,4-dihydroxy-11a-(hydroxymethyl)-5b,8,8,13a-tetramethyl-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-1H-phenanthro[2,1-e][2]benzofuran-3-one

group of stereoisomers with the chemical formula C₂₅H₃₈O₅

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

418.271924316 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₈O₅

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canonical SMILES

O=C1OC(O)C2=C1C(O)CC3C2(C)CCC4C3(C)CCC5C(C)(C)CCCC54CO

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isomeric SMILES

CC1(C)CCC[C@@]2(CO)[C@H]1CC[C@@]1(C)[C@@H]3CC(O)C4=C([C@H](O)OC4=O)[C@@]3(C)CC[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/C25H38O5/c1-22(2)8-5-9-25(13-26)15(22)6-10-23(3)16(25)7-11-24(4)17(23)12-14(27)18-19(24)21(29)30-20(18)28/h14-17,21,26-27,29H,5-13H2,1-4H3/t14?,15-,16-,17-,21+,23+,24-,25+/m0/s1

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InChIKey

VLUSLHNYJYPIJY-YGUUFDBTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VLUSLHNYJYPIJY-YGUUFDBTSA-N

1 reference

(Q110178147)

(1R,5aS,5bS,7aS,11aR,11bS,13aS)-1,4-dihydroxy-11a-(hydroxymethyl)-5b,8,8,13a-tetramethyl-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-1H-phenanthro[2,1-e][2]benzofuran-3-one

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Identifiers

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