(Q105015733)

English

18-[3,5-Dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-2,9,10-trihydroxy-4,6,12,17,17-pentamethylhexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-en-8-one

group of stereoisomers with the chemical formula C₃₇H₅₆O₁₃

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

708.372091852 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₅₆O₁₃

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canonical SMILES

O=C1CC(C)C2C(O)(CC3(C4=CCC5C(C)(C)C(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6O)CCC85CC48C(O)CC23C)C)C1O

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found in taxon

Actaea elata

1 reference

stated in

Trinor-cycloartane glycosides from the rhizomes of Cimicifuga foetida.

Identifiers

InChI

InChI=1S/C37H56O13/c1-16-10-17(38)29(45)37(46)14-34(5)21-7-6-20-32(2,3)23(8-9-35(20)15-36(21,35)22(41)11-33(34,4)28(16)37)49-31-26(44)27(19(40)13-48-31)50-30-25(43)24(42)18(39)12-47-30/h7,16,18-20,22-31,39-46H,6,8-15H2,1-5H3

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InChIKey

GRCCENUPOSFPAI-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GRCCENUPOSFPAI-UHFFFAOYSA-N

(Q105015733)

18-[3,5-Dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-2,9,10-trihydroxy-4,6,12,17,17-pentamethylhexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-en-8-one

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Identifiers

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