(Q105211744)

English

[(2R,3S,4R,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] docosanoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[6-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] docosanoate

1 reference

based on heuristic

inferred from SMILES

898.762555604 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₇H₁₀₂O₇

0 references

canonical SMILES

O=C(OC1C(OC(OC2CC3=CCC4C(CCC5(C)C(CCC45)C(C)CCC(CC)C(C)C)C3(C)CC2)C(O)C1O)CO)CCCCCCCCCCCCCCCCCCCCC

0 references

isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](CO)O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CC[C@@H](CC)C(C)C)C2)[C@H](O)[C@H]1O

0 references

1 reference

A New Steroid Glycoside Derivative fromAcorus CalamusL.

Identifiers

InChI=1S/C57H102O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-51(59)64-54-50(40-58)63-55(53(61)52(54)60)62-45-35-37-56(6)44(39-45)31-32-46-48-34-33-47(57(48,7)38-36-49(46)56)42(5)29-30-43(9-2)41(3)4/h31,41-43,45-50,52-55,58,60-61H,8-30,32-40H2,1-7H3/t42-,43-,45+,46+,47-,48+,49+,50-,52-,53-,54-,55-,56+,57-/m1/s1

0 references

PMUCBXMMWUMGMV-XGTZIAFYSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

PMUCBXMMWUMGMV-XGTZIAFYSA-N

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