(Q105283266)

English

[17-[5-(Furan-3-yl)hexan-2-yl]-4-hydroxy-10,13,14-trimethyl-2,3-disulfooxy-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-yl] hydrogen sulfate

group of stereoisomers with the chemical formula C₃₀H₄₆O₁₄S₃

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

726.204969152 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆O₁₄S₃

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canonical SMILES

O=S(=O)(O)OC1CC2(C3=CCC4(C)C(CCC4(C)C3CC(OS(=O)(=O)O)C2C(O)C1OS(=O)(=O)O)C(C)CCC(C5=COC=C5)C)C

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found in taxon

Topsentia

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stated in

Topsentiasterol sulfates, antimicrobial sterol sulfates possessing novel side chains, from a marine sponge, Topsentia sp.

Identifiers

InChI

InChI=1S/C30H46O14S3/c1-17(19-10-13-41-16-19)6-7-18(2)20-8-11-30(5)22-14-23(42-45(32,33)34)25-26(31)27(44-47(38,39)40)24(43-46(35,36)37)15-28(25,3)21(22)9-12-29(20,30)4/h9-10,13,16-18,20,22-27,31H,6-8,11-12,14-15H2,1-5H3,(H,32,33,34)(H,35,36,37)(H,38,39,40)

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InChIKey

VBJAXYUZSQSFTC-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105283266)

[17-[5-(Furan-3-yl)hexan-2-yl]-4-hydroxy-10,13,14-trimethyl-2,3-disulfooxy-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-yl] hydrogen sulfate

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Identifiers

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