(Q105287506)

English

[6-[7,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate

group of stereoisomers with the chemical formula C₃₈H₅₄O₁₄

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instance of

group of stereoisomers

0 references

subclass of

cucurbitane triterpenoid

1 reference

inferred from

cucurbitane triterpenoid

mass

734.3513564080002 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₈H₅₄O₁₄

0 references

canonical SMILES

O=C(OC(C=CC(=O)C(O)(C)C1C(O)CC2(C)C3C(O)C=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C(=O)CC12C)C)(C)C)C

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Identifiers

InChI

InChI=1S/C38H54O14/c1-17(40)52-33(2,3)11-10-24(43)38(9,49)30-21(42)14-35(6)29-20(41)12-18-19(37(29,8)25(44)15-36(30,35)7)13-22(31(48)34(18,4)5)50-32-28(47)27(46)26(45)23(16-39)51-32/h10-13,19-21,23,26-30,32,39,41-42,45-47,49H,14-16H2,1-9H3

0 references

InChIKey

VJTYFWONTVLZJR-UHFFFAOYSA-N

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PubChem CID

73034991

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

VJTYFWONTVLZJR-UHFFFAOYSA-N

(Q105287506)

[6-[7,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate

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