(Q105023051)

English

Methyl 14,25-diacetyloxy-7-hydroxy-4-methoxy-6,16,22-trimethyl-23-(2-methylbut-2-enoyloxy)-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.18,15.01,5.06,18.07,16.010,14.022,26]heptacos-12-ene-4-carboxylate

group of stereoisomers with the chemical formula C₃₇H₄₈O₁₅

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Statements

instance of

group of stereoisomers

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subclass of

ring-cleaved tetranortriterpenoid

1 reference

inferred from

ring-cleaved tetranortriterpenoid

mass

732.299320836 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₈O₁₅

0 references

canonical SMILES

O=C(OC1CC(OC(=O)C)C23COC(OC)(C(=O)OC)C3C4(C)C(OC5(C)C6CC(OC7OC=CC76OC(=O)C)C54O)C8OCC1(C)C82)C(=CC)C

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Identifiers

InChI

InChI=1S/C37H48O15/c1-10-17(2)27(40)49-21-14-22(48-18(3)38)34-16-47-36(44-9,29(41)43-8)28(34)32(6)26(24-25(34)31(21,5)15-46-24)52-33(7)20-13-23(37(32,33)42)50-30-35(20,11-12-45-30)51-19(4)39/h10-12,20-26,28,30,42H,13-16H2,1-9H3

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InChIKey

GXFZBHKFYACTPZ-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GXFZBHKFYACTPZ-UHFFFAOYSA-N

(Q105023051)

Methyl 14,25-diacetyloxy-7-hydroxy-4-methoxy-6,16,22-trimethyl-23-(2-methylbut-2-enoyloxy)-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.18,15.01,5.06,18.07,16.010,14.022,26]heptacos-12-ene-4-carboxylate

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