(Q105216641)

English

(2S)-2-[3-[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]-3-methylbutanoic 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

565.307323844 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₇NO₇S

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canonical SMILES

O=C1C=C(CN1C(C(=O)O)C(C)C)CCC2C(=COS(=O)(=O)O)CCC3C2(C)CCC4C(C)(C)CCCC43C

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isomeric SMILES

CC(C)[C@@H](C(=O)O)N1CC(CC[C@H]2/C(=C/OS(=O)(=O)O)CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]23C)=CC1=O

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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/C30H47NO7S/c1-19(2)26(27(33)34)31-17-20(16-25(31)32)8-10-22-21(18-38-39(35,36)37)9-11-24-29(22,5)15-12-23-28(3,4)13-7-14-30(23,24)6/h16,18-19,22-24,26H,7-15,17H2,1-6H3,(H,33,34)(H,35,36,37)/b21-18+/t22-,23-,24-,26-,29+,30-/m0/s1

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InChIKey

PYLNOJGNKMCWPS-SEUBVADGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PYLNOJGNKMCWPS-SEUBVADGSA-N

1 reference

(Q105216641)

(2S)-2-[3-[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]-3-methylbutanoic acid

Statements

Identifiers

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