(Q105267158)

English

5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxane-3,4-diol

group of stereoisomers with the chemical formula C₄₀H₆₄O₁₂

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Statements

instance of

group of stereoisomers

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subclass of

protostane/dammarane triterpenoid

1 reference

inferred from

protostane/dammarane triterpenoid

mass

736.439777488 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₆₄O₁₂

0 references

canonical SMILES

OCC1OC(OC2C(OCC(O)C2O)OC3CCC4(C)C(CCC5(C)C4CCC6C7C(O)(C)CC(OC87OCC65C8)C=C(C)C)C3(C)C)C(O)C1O

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Identifiers

InChI

InChI=1S/C40H64O12/c1-20(2)14-21-15-38(7,46)32-22-8-9-26-36(5)12-11-27(35(3,4)25(36)10-13-37(26,6)39(22)18-40(32,52-21)48-19-39)50-34-31(28(43)23(42)17-47-34)51-33-30(45)29(44)24(16-41)49-33/h14,21-34,41-46H,8-13,15-19H2,1-7H3

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InChIKey

TXYGLCRFBVGENR-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TXYGLCRFBVGENR-UHFFFAOYSA-N

(Q105267158)

5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxane-3,4-diol

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Identifiers

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