(Q105114262)

English

2-[2-[[8a-(Hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₄₂H₇₀O₁₂

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Statements

instance of

group of stereoisomers

0 references

subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

766.48672768 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₇₀O₁₂

0 references

canonical SMILES

OCC1OC(OC2C(O)C(O)C(OC2OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)CCC7(CO)CCC65C)C3(C)C)CO)C(O)C(O)C1O

0 references

found in taxon

Hedera taurica

1 reference

stated in

Triterpene glycosides ofHedera helix III. Structure of the triterpene sulfates and their glycosides

Identifiers

InChI

InChI=1S/C42H70O12/c1-37(2)14-16-42(21-45)17-15-40(6)22(23(42)18-37)8-9-27-39(5)12-11-28(38(3,4)26(39)10-13-41(27,40)7)53-36-34(32(49)30(47)25(20-44)52-36)54-35-33(50)31(48)29(46)24(19-43)51-35/h8,23-36,43-50H,9-21H2,1-7H3

0 references

InChIKey

IKBJJBUMCSZLLR-UHFFFAOYSA-N

0 references

2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

IKBJJBUMCSZLLR-UHFFFAOYSA-N

(Q105114262)

2-[2-[[8a-(Hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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