(Q105218832)

English

[(3Z,3aS,5aR,6S,7S,9aR,9bS)-3-[(7S)-7-hydroxy-6,10-dimethylundeca-3,5,9-trien-2-ylidene]-6-(hydroxymethyl)-3a,6,9a-trimethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[3-(7-Hydroxy-6,10-dimethylundeca-3,5,9-trien-2-ylidene)-6-(hydroxymethyl)-3a,6,9a-trimethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

512.350174636 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

29-Hydroxystelliferin B

1 reference

based on heuristic

inferred from InChIKey

[(3Z,3aS,5aR,6S,7R,9aR,9bS)-3-[(3E,5E,7S)-7-hydroxy-6,10-dimethylundeca-3,5,9-trien-2-ylidene]-6-(hydroxymethyl)-3a,6,9a-trimethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl] acetate

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₃₂H₄₈O₅

0 references

canonical SMILES

O=C(OC1CCC2(C)C3CC(=O)C(=C(C=CC=C(C)C(O)CC=C(C)C)C)C3(C)CCC2C1(C)CO)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(/C)C=CC=C(C)[C@@H](O)CC=C(C)C)[C@@]3(C)CC[C@H]2[C@@]1(C)CO

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found in taxon

Jaspis

1 reference

stated in

New cytotoxic isomalabaricane triterpenes from the sponge Jaspis species

Identifiers

InChI

InChI=1S/C32H48O5/c1-20(2)12-13-24(35)21(3)10-9-11-22(4)29-25(36)18-27-30(6)17-15-28(37-23(5)34)32(8,19-33)26(30)14-16-31(27,29)7/h9-12,24,26-28,33,35H,13-19H2,1-8H3/b11-9?,21-10?,29-22+/t24-,26+,27-,28-,30-,31-,32+/m0/s1

0 references

InChIKey

QDIPGNADJXRSEJ-AKFJSLEYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QDIPGNADJXRSEJ-AKFJSLEYSA-N

(Q105218832)

[(3Z,3aS,5aR,6S,7S,9aR,9bS)-3-[(7S)-7-hydroxy-6,10-dimethylundeca-3,5,9-trien-2-ylidene]-6-(hydroxymethyl)-3a,6,9a-trimethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl] acetate

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