(Q105283528)

English

2-{[4,5-dihydroxy-2-({11-hydroxy-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl}oxy)-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₄₂H₇₂O₁₄

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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

800.4922069840004 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₂H₇₂O₁₄

0 references

canonical SMILES

OCC1OC(OC2C(O)C(O)C(OC2OC3CCC4(C)C(CCC5(C)C4CC(O)C6C(CCC65C)C7(OC(CC7)C(O)(C)C)C)C3(C)C)CO)C(O)C(O)C1O

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Identifiers

InChI

InChI=1S/C42H72O14/c1-37(2)24-10-15-40(6)25(17-21(45)28-20(9-14-41(28,40)7)42(8)16-12-27(56-42)38(3,4)51)39(24,5)13-11-26(37)54-36-34(32(49)30(47)23(19-44)53-36)55-35-33(50)31(48)29(46)22(18-43)52-35/h20-36,43-51H,9-19H2,1-8H3

0 references

InChIKey

VBWLFPXNVMBQCR-UHFFFAOYSA-N

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PubChem CID

72809493

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

VBWLFPXNVMBQCR-UHFFFAOYSA-N

(Q105283528)

2-{[4,5-dihydroxy-2-({11-hydroxy-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl}oxy)-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

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