(Q105347352)

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]ethanesulfonic 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

573.243009336 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₃NO₈S₂

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canonical SMILES

O=C1C(=CCN1CCS(=O)(=O)O)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(CCS(=O)(=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/C27H43NO8S2/c1-25(2)12-5-13-27(4)22(25)10-14-26(3)21(20(7-9-23(26)27)18-36-38(33,34)35)8-6-19-11-15-28(24(19)29)16-17-37(30,31)32/h11,18,21-23H,5-10,12-17H2,1-4H3,(H,30,31,32)(H,33,34,35)/b20-18+/t21-,22-,23-,26+,27-/m0/s1

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InChIKey

YEPVVIIGWLIREQ-WQMLZTBVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YEPVVIIGWLIREQ-WQMLZTBVSA-N

1 reference

(Q105347352)

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]ethanesulfonic acid

Statements

Identifiers

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