(Q105313968)

English

2-[2-[[17-(4,5-dihydroxy-2,6,6-trimethyloxan-2-yl)-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

group of stereoisomers with the chemical formula C₄₁H₇₀O₁₄

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Statements

instance of

group of stereoisomers

0 references

subclass of

protostane/dammarane triterpenoid

1 reference

inferred from

protostane/dammarane triterpenoid

mass

786.47655692 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₇₀O₁₄

0 references

canonical SMILES

OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC(O)C5C(CCC54C)C6(OC(C)(C)C(O)C(O)C6)C)C2(C)C)C(OC7OCC(O)C(O)C7O)C(O)C1O

0 references

Identifiers

InChI

InChI=1S/C41H70O14/c1-36(2)24-10-14-39(6)25(15-20(43)27-19(9-13-40(27,39)7)41(8)16-21(44)33(50)37(3,4)55-41)38(24,5)12-11-26(36)53-35-32(30(48)29(47)23(17-42)52-35)54-34-31(49)28(46)22(45)18-51-34/h19-35,42-50H,9-18H2,1-8H3

0 references

InChIKey

WWEXTVPYKGAYFK-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WWEXTVPYKGAYFK-UHFFFAOYSA-N

(Q105313968)

2-[2-[[17-(4,5-dihydroxy-2,6,6-trimethyloxan-2-yl)-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

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Identifiers

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