(Q104941487)

English

[2-[[9,14-Dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate

group of stereoisomers with the chemical formula C₃₈H₆₂O₁₁

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instance of

group of stereoisomers

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subclass of

cycloartane triterpenoid

1 reference

inferred from

cycloartane triterpenoid

mass

694.4292128040001 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₈H₆₂O₁₁

0 references

canonical SMILES

O=C(OC1C(OC(CO)C(O)C1O)OC2CCC34CC54CCC6(C)C(C(O)CC6(C)C5CC(O)C3C2(C)C)C7(OC(CC7)C(O)(C)C)C)C

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Identifiers

InChI

InChI=1S/C38H62O11/c1-19(40)46-28-27(44)26(43)22(17-39)47-31(28)48-24-10-12-38-18-37(38)14-13-34(6)30(36(8)11-9-25(49-36)33(4,5)45)21(42)16-35(34,7)23(37)15-20(41)29(38)32(24,2)3/h20-31,39,41-45H,9-18H2,1-8H3

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InChIKey

BPCILTNDGJOSHT-UHFFFAOYSA-N

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PubChem CID

162868788

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

BPCILTNDGJOSHT-UHFFFAOYSA-N

(Q104941487)

[2-[[9,14-Dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate

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