(Q105341674)

English

(4S,4aR,6S,8aS)-4,4a,6-trihydroxy-2-[(1R,2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentyl]-8a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-1-one

chemical compound

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instance of

type of chemical entity

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subclass of

4,4a,6-trihydroxy-2-[2-(2-hydroxyethyl)-2-methyl-3-(6-methylheptan-2-yl)cyclopentyl]-8a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-1-one

1 reference

based on heuristic

inferred from SMILES

mass

450.334524572 dalton

1 reference

1 reference

C₂₇H₄₆O₅

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canonical SMILES

O=C1C(=CC(O)C2(O)CC(O)CCC12C)C3CCC(C(C)CCCC(C)C)C3(C)CCO

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isomeric SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@@H](C2=C[C@H](O)[C@@]3(O)C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO

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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/C27H46O5/c1-17(2)7-6-8-18(3)21-9-10-22(25(21,4)13-14-28)20-15-23(30)27(32)16-19(29)11-12-26(27,5)24(20)31/h15,17-19,21-23,28-30,32H,6-14,16H2,1-5H3/t18-,19+,21-,22+,23+,25-,26-,27+/m1/s1

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InChIKey

XTNDAJHNHQCFRB-AUZHTAODSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XTNDAJHNHQCFRB-AUZHTAODSA-N

1 reference

(Q105341674)

(4S,4aR,6S,8aS)-4,4a,6-trihydroxy-2-[(1R,2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentyl]-8a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-1-one

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