(Q105032855)

English

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

group of stereoisomers with the chemical formula C₅₁H₉₀O₈

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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

830.66356984 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₁H₉₀O₈

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canonical SMILES

O=C(OC1=C2CC(OC3OC(CO)C(O)C(O)C3O)CCC2(C)C4CCC5(C)C(CCC5C4C1)C(C)CCC(CC)C(C)C)CCCCCCCCCCCCCCC

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found in taxon

Dracaena draco

1 reference

stated in

Icogenin, a New Cytotoxic Steroidal Saponin Isolated from Dracaena draco.

Ligularia przewalskii

1 reference

stated in

Two New Benzofurans and Other Constituents from Ligularia przewalskii

Identifiers

InChI

InChI=1S/C51H90O8/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-45(53)58-43-32-38-40-26-25-39(35(5)23-24-36(9-2)34(3)4)50(40,6)30-28-41(38)51(7)29-27-37(31-42(43)51)57-49-48(56)47(55)46(54)44(33-52)59-49/h34-41,44,46-49,52,54-56H,8-33H2,1-7H3

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InChIKey

HRUUTUFAJCLFFC-UHFFFAOYSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

HRUUTUFAJCLFFC-UHFFFAOYSA-N

(Q105032855)

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

Statements

Identifiers

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