(Q105163138)

English

[(3Z,3aS,5aR,7S,9aR,9bS)-3-[(3E,5E)-6,10-dimethyl-7-oxoundeca-3,5,9-trien-2-ylidene]-3a,6,6,9a-tetramethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3-(6,10-Dimethyl-7-oxoundeca-3,5,9-trien-2-ylidene)-3a,6,6,9a-tetramethyl-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

494.339609952 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₆O₄

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canonical SMILES

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

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isomeric SMILES

CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)\C=C\C=C(/C)C(=O)CC=C(C)C)[C@@]3(C)CC[C@H]2C1(C)C

0 references

found in taxon

Jaspis stellifera

1 reference

stated in

Stelliferins A–F, new antineoplastic isomalabaricane triterpenes from the Okinawan marine sponge Jaspis stellifera.

Identifiers

InChI

InChI=1S/C32H46O4/c1-20(2)13-14-24(34)21(3)11-10-12-22(4)29-25(35)19-27-31(8)18-16-28(36-23(5)33)30(6,7)26(31)15-17-32(27,29)9/h10-13,26-28H,14-19H2,1-9H3/b12-10+,21-11+,29-22+/t26-,27-,28-,31-,32-/m0/s1

0 references

InChIKey

MFZKUIXCYCZTDC-AGFFRSKSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MFZKUIXCYCZTDC-AGFFRSKSSA-N

1 reference

(Q105163138)

[(3Z,3aS,5aR,7S,9aR,9bS)-3-[(3E,5E)-6,10-dimethyl-7-oxoundeca-3,5,9-trien-2-ylidene]-3a,6,6,9a-tetramethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl] acetate

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