(Q105185273)

English

[4,5-Diacetyloxy-6-[4,5-dihydroxy-2-[3',4',16-trihydroxy-7-(hydroxymethyl)-5',13-dimethyl-3-oxospiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-2(9),18-diene-6,2'-oxane]-14-yl]oxyoxan-3-yl]oxy-2-methyloxan-3-yl] acetate

group of stereoisomers with the chemical formula C₄₃H₆₀O₁₉

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instance of

group of stereoisomers

0 references

subclass of

18-norcholestane steroid

1 reference

inferred from

18-norcholestane steroid

mass

880.3728797000006 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₃H₆₀O₁₉

0 references

canonical SMILES

O=C(OC1C(OC(C)C(OC(=O)C)C1OC(=O)C)OC2C(OCC(O)C2O)OC3CC(O)CC4=CCC5C=6C(=O)C7OC8(OCC(C)C(O)C8O)C(CO)C7C6CCC5C43C)C

0 references

Identifiers

InChI

InChI=1S/C43H60O19/c1-16-14-55-43(39(53)31(16)50)26(13-44)30-24-9-10-25-23(29(24)33(52)35(30)62-43)8-7-21-11-22(48)12-28(42(21,25)6)60-40-36(32(51)27(49)15-54-40)61-41-38(59-20(5)47)37(58-19(4)46)34(17(2)56-41)57-18(3)45/h7,16-17,22-23,25-28,30-32,34-41,44,48-51,53H,8-15H2,1-6H3

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InChIKey

NSWDCEPUMRWKNN-UHFFFAOYSA-N

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PubChem CID

162881463

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NSWDCEPUMRWKNN-UHFFFAOYSA-N

(Q105185273)

[4,5-Diacetyloxy-6-[4,5-dihydroxy-2-[3',4',16-trihydroxy-7-(hydroxymethyl)-5',13-dimethyl-3-oxospiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-2(9),18-diene-6,2'-oxane]-14-yl]oxyoxan-3-yl]oxy-2-methyloxan-3-yl] acetate

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Identifiers

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