(Q105028619)

English

(6-{[1-(5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl heptadecanoate

group of stereoisomers with the chemical formula C₅₂H₉₂O₇

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Statements

instance of

group of stereoisomers

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subclass of

stigmastan-type steroid

1 reference

inferred from

stigmastan-type steroid

mass

828.6843052840002 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₅₂H₉₂O₇

0 references

canonical SMILES

O=C(OCC1OC(OC2CC3=CCC4C(CCC5(C)C(CCC45)C(C)CCC(CC)C(C)C)C3(C)CC2)C(O)C(O)C1O)CCCCCCCCCCCCCCCC

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Identifiers

InChI

InChI=1S/C52H92O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-46(53)57-35-45-47(54)48(55)49(56)50(59-45)58-40-30-32-51(6)39(34-40)26-27-41-43-29-28-42(52(43,7)33-31-44(41)51)37(5)24-25-38(9-2)36(3)4/h26,36-38,40-45,47-50,54-56H,8-25,27-35H2,1-7H3

0 references

InChIKey

HHWGMFXJSFQQTR-UHFFFAOYSA-N

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PubChem CID

73207267

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HHWGMFXJSFQQTR-UHFFFAOYSA-N

(Q105028619)

(6-{[1-(5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl heptadecanoate

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