(Q105312669)

English

[10,13-dimethyl-17-(6-methyl-5-propan-2-ylheptan-2-yl)-2,3-disulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] hydrogen sulfate

group of stereoisomers with the chemical formula C₃₀H₅₄O₁₂S₃

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instance of

group of stereoisomers

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subclass of

28-methylstigmastan steroid

1 reference

inferred from

28-methylstigmastan steroid

mass

702.2777401679999 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₄O₁₂S₃

0 references

canonical SMILES

O=S(=O)(O)OC1CC2C(OS(=O)(=O)O)CC3C4CCC(C(C)CCC(C(C)C)C(C)C)C4(C)CCC3C2(C)CC1OS(=O)(=O)O

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Identifiers

InChI

InChI=1S/C30H54O12S3/c1-17(2)20(18(3)4)9-8-19(5)22-10-11-23-21-14-26(40-43(31,32)33)25-15-27(41-44(34,35)36)28(42-45(37,38)39)16-30(25,7)24(21)12-13-29(22,23)6/h17-28H,8-16H2,1-7H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)

0 references

InChIKey

WTOCHLCBFJKBRR-UHFFFAOYSA-N

0 references

PubChem CID

162911305

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WTOCHLCBFJKBRR-UHFFFAOYSA-N

(Q105312669)

[10,13-dimethyl-17-(6-methyl-5-propan-2-ylheptan-2-yl)-2,3-disulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] hydrogen sulfate

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