(Q105205332)

English

(1aS,4aS,7S,8aR)-3-[(1R,2R,3R)-3-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-2-(2-hydroxyethyl)-2-methylcyclopentyl]-7-hydroxy-4a-methyl-5,6,7,8-tetrahydro-1aH-naphtho[4,4a-b]oxiren-4-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-[3-(5,6-dimethylhept-3-en-2-yl)-2-(2-hydroxyethyl)-2-methylcyclopentyl]-7-hydroxy-4a-methyl-5,6,7,8-tetrahydro-1aH-naphtho[4,4a-b]oxiren-4-one

1 reference

based on heuristic

inferred from SMILES

mass

444.323959888 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₄O₄

0 references

canonical SMILES

O=C1C(=CC2OC32CC(O)CCC13C)C4CCC(C(C=CC(C)C(C)C)C)C4(C)CCO

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isomeric SMILES

CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H](C2=C[C@@H]3O[C@@]34C[C@@H](O)CC[C@]4(C)C2=O)[C@]1(C)CCO

0 references

found in taxon

Dysidea fragilis

1 reference

stated in

New cytotoxic steroids from the marine sponge Dysidea fragilis coming from the lagoon of Venice

Identifiers

InChI

InChI=1S/C28H44O4/c1-17(2)18(3)7-8-19(4)22-9-10-23(26(22,5)13-14-29)21-15-24-28(32-24)16-20(30)11-12-27(28,6)25(21)31/h7-8,15,17-20,22-24,29-30H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,22+,23-,24-,26+,27+,28-/m0/s1

0 references

InChIKey

PBOWEEWOCAHZBT-QIBDZGQISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PBOWEEWOCAHZBT-QIBDZGQISA-N

(Q105205332)

(1aS,4aS,7S,8aR)-3-[(1R,2R,3R)-3-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-2-(2-hydroxyethyl)-2-methylcyclopentyl]-7-hydroxy-4a-methyl-5,6,7,8-tetrahydro-1aH-naphtho[4,4a-b]oxiren-4-one

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Identifiers

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