(Q105159430)

English

[(3Z,3aS,5aR,7S,9aR,9bS)-3-[(3E,5E,7S)-7-acetyloxy-6,10-dimethylundeca-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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instance of

type of chemical entity

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subclass of

[3-(7-Acetyloxy-6,10-dimethylundeca-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

538.3658247 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3E,3aS,5aR,7S,9aR,9bS)-3-[(3E,5E,7S)-7-acetyloxy-6,10-dimethylundeca-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 InChI

chemical formula

C₃₄H₅₀O₅

0 references

canonical SMILES

O=C(OC(C(=CC=CC(=C1C(=O)CC2C1(C)CCC3C(C)(C)C(OC(=O)C)CCC23C)C)C)CC=C(C)C)C

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isomeric SMILES

CC(=O)O[C@@H](CC=C(C)C)/C(C)=C/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]21C

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/C34H50O5/c1-21(2)14-15-27(38-24(5)35)22(3)12-11-13-23(4)31-26(37)20-29-33(9)19-17-30(39-25(6)36)32(7,8)28(33)16-18-34(29,31)10/h11-14,27-30H,15-20H2,1-10H3/b13-11+,22-12+,31-23+/t27-,28-,29-,30-,33-,34-/m0/s1

0 references

InChIKey

LYMVREJBODRMMO-XMXAVGPXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LYMVREJBODRMMO-XMXAVGPXSA-N

1 reference

(Q105159430)

[(3Z,3aS,5aR,7S,9aR,9bS)-3-[(3E,5E,7S)-7-acetyloxy-6,10-dimethylundeca-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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Identifiers

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