(Q105112323)

English

[6-[2-(3',16-Dihydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl)oxy-5-hydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate

group of stereoisomers with the chemical formula C₄₅H₆₈O₁₈

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Statements

instance of

group of stereoisomers

0 references

1 reference

896.440565336 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₅H₆₈O₁₈

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canonical SMILES

O=C(OC1C(O)C(O)C(OC1C)OC2C(OCC(O)C2OC3OCC(O)C(O)C3O)OC4CC(O)CC5=CCC6C(CCC7(C)C6CC8OC9(OCC(=C)CC9O)C(C)C87)C54C)C

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found in taxon

Dracaena trifasciata

1 reference

stated in

Steroidal saponins from the stems of Dracaena concinna

Sansevieria trifasciata

1 reference

stated in

Steroidal saponins from the stems of Dracaena concinna

Identifiers

InChI

InChI=1S/C45H68O18/c1-18-11-30(50)45(57-15-18)19(2)32-29(63-45)14-26-24-8-7-22-12-23(47)13-31(44(22,6)25(24)9-10-43(26,32)5)60-42-39(62-41-36(54)34(52)37(20(3)58-41)59-21(4)46)38(28(49)17-56-42)61-40-35(53)33(51)27(48)16-55-40/h7,19-20,23-42,47-54H,1,8-17H2,2-6H3

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InChIKey

IFRBWMPNJRIBIZ-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IFRBWMPNJRIBIZ-UHFFFAOYSA-N

(Q105112323)

[6-[2-(3',16-Dihydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl)oxy-5-hydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate

Statements

Identifiers

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