(Q105218549)

English

2-[4-[2-[(1R,2E,4aR,4bS,8aS,10aS)-4b,8,8,10a-tetramethyl-2-(sulfooxymethylidene)-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]ethyl]-5-oxo-2H-pyrrol-1-yl]acetic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

alkaloid

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cheilanthane sesterterpenoid

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mass

523.260373652 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₁NO₇S

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canonical SMILES

O=C(O)CN1C(=O)C(=CC1)CCC2C(=COS(=O)(=O)O)CCC3C2(C)CCC4C(C)(C)CCCC43C

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isomeric SMILES

CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H](CCC3=CCN(CC(=O)O)C3=O)/C(=C/OS(=O)(=O)O)CC[C@H]21

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found in taxon

Coscinoderma

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stated in

Suvanine sesterterpenes and deacyl irciniasulfonic acids from a tropical Coscinoderma sp. sponge

Identifiers

InChI

InChI=1S/C27H41NO7S/c1-25(2)12-5-13-27(4)21(25)10-14-26(3)20(19(7-9-22(26)27)17-35-36(32,33)34)8-6-18-11-15-28(24(18)31)16-23(29)30/h11,17,20-22H,5-10,12-16H2,1-4H3,(H,29,30)(H,32,33,34)/b19-17+/t20-,21-,22-,26+,27-/m0/s1

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InChIKey

QCSNAPLPUTUYES-GYZFJBNPSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

QCSNAPLPUTUYES-GYZFJBNPSA-N

1 reference

(Q105218549)

2-[4-[2-[(1R,2E,4aR,4bS,8aS,10aS)-4b,8,8,10a-tetramethyl-2-(sulfooxymethylidene)-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]ethyl]-5-oxo-2H-pyrrol-1-yl]acetic acid

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