(Q104987822)

English

[4-hydroxy-17-[5-(2-hydroxy-5-oxo-2H-furan-4-yl)hexan-2-yl]-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 C₃₀H₄₆O₁₆S₃

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

758.194798392 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆O₁₆S₃

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canonical SMILES

O=C1OC(O)C=C1C(C)CCC(C)C2CCC3(C)C4C(=CCC23C)C5(C)CC(OS(=O)(=O)O)C(OS(=O)(=O)O)C(O)C5C(OS(=O)(=O)O)C4

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found in taxon

Topsentia

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C30H46O16S3/c1-15(17-12-23(31)43-27(17)33)6-7-16(2)18-8-10-30(5)20-13-21(44-47(34,35)36)24-25(32)26(46-49(40,41)42)22(45-48(37,38)39)14-28(24,3)19(20)9-11-29(18,30)4/h9,12,15-16,18,20-26,31-32H,6-8,10-11,13-14H2,1-5H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)

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InChIKey

DSGAPWPCWDLLPP-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DSGAPWPCWDLLPP-UHFFFAOYSA-N

(Q104987822)

[4-hydroxy-17-[5-(2-hydroxy-5-oxo-2H-furan-4-yl)hexan-2-yl]-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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