(Q105032856)

English

[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-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

chemical compound

In more languages

Statements

type of chemical entity

0 references

[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

1 reference

based on heuristic

inferred from SMILES

830.66356984 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₁H₉₀O₈

0 references

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

0 references

isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=C2C[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CC[C@@H](CC)C(C)C)[C@@H]2C1

0 references

1 reference

Icogenin, a new cytotoxic steroidal saponin isolated from Dracaena draco

Ligularia przewalskii

1 reference

Coniferyl and sinapyl alcohol derivatives from Ligularia duciformis

Identifiers

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/t35-,36-,37+,38+,39-,40+,41+,44-,46-,47+,48-,49-,50-,51-/m1/s1

0 references

HRUUTUFAJCLFFC-XAGKEMRUSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

HRUUTUFAJCLFFC-XAGKEMRUSA-N

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