(Q105247681)

English

(2R)-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]propanoic 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

537.276023716 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₃NO₇S

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canonical SMILES

O=C1C(=CCN1C(C(=O)O)C)CCC2C(=COS(=O)(=O)O)CCC3C2(C)CCC4C(C)(C)CCCC43C

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isomeric SMILES

C[C@H](C(=O)O)N1CC=C(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)C1=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/C28H43NO7S/c1-18(25(31)32)29-16-12-19(24(29)30)7-9-21-20(17-36-37(33,34)35)8-10-23-27(21,4)15-11-22-26(2,3)13-6-14-28(22,23)5/h12,17-18,21-23H,6-11,13-16H2,1-5H3,(H,31,32)(H,33,34,35)/b20-17+/t18-,21+,22+,23+,27-,28+/m1/s1

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InChIKey

RYLVNWOBQRFZOO-IVWQTZDDSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

RYLVNWOBQRFZOO-IVWQTZDDSA-N

1 reference

(Q105247681)

(2R)-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]propanoic acid

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Identifiers

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