(Q105151487)

English

[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]-3,4,5-trihydroxyoxan-2-yl]methyl octadeca-9,12-dienoate

group of stereoisomers with the chemical formula C₅₃H₉₀O₇

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Statements

instance of

group of stereoisomers

0 references

subclass of

stigmastan-type steroid

1 reference

inferred from

stigmastan-type steroid

mass

838.6686552200002 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₅₃H₉₀O₇

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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)CCCCCCCC=CCC=CCCCCC

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found in taxon

Actaea racemosa

1 reference

stated in

Cimiracemates A-D, phenylpropanoid esters from the rhizomes of Cimicifuga racemosa.

Identifiers

InChI

InChI=1S/C53H90O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h13-14,16-17,27,37-39,41-46,48-51,55-57H,8-12,15,18-26,28-36H2,1-7H3

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InChIKey

LGOFPEZSCRRDEE-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LGOFPEZSCRRDEE-UHFFFAOYSA-N

(Q105151487)

[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]-3,4,5-trihydroxyoxan-2-yl]methyl octadeca-9,12-dienoate

Statements

Identifiers

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