(Q105147607)

English

[(E)-[(1R,4aR,4bS,8aS,10aS)-4b,8,8,10a-tetramethyl-1-[2-[1-(3-methylsulfinylpropyl)-5-oxo-2H-pyrrol-4-yl]ethyl]-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-ylidene]methyl] hydrogen sulfate

group of stereoisomers with the chemical formula C₂₉H₄₇NO₆S₂

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Statements

instance of

group of stereoisomers

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subclass of

cheilanthane sesterterpenoid

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inferred from

cheilanthane sesterterpenoid

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569.284480224 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₇NO₆S₂

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canonical SMILES

O=C1C(=CCN1CCC[S+]([O-])C)CCC2C(=COS(=O)(=O)O)CCC3C2(C)CCC4C(C)(C)CCCC43C

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isomeric SMILES

C[S+]([O-])CCCN1CC=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/C29H47NO6S2/c1-27(2)14-6-15-29(4)24(27)12-16-28(3)23(22(9-11-25(28)29)20-36-38(33,34)35)10-8-21-13-18-30(26(21)31)17-7-19-37(5)32/h13,20,23-25H,6-12,14-19H2,1-5H3,(H,33,34,35)/b22-20+/t23-,24-,25-,28+,29-,37?/m0/s1

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InChIKey

KXYYYKVSWCQXRS-FTMMDALDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KXYYYKVSWCQXRS-FTMMDALDSA-N

1 reference

(Q105147607)

[(E)-[(1R,4aR,4bS,8aS,10aS)-4b,8,8,10a-tetramethyl-1-[2-[1-(3-methylsulfinylpropyl)-5-oxo-2H-pyrrol-4-yl]ethyl]-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-ylidene]methyl] hydrogen sulfate

Statements

Identifiers

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