(Q105313925)

English

4-[(1R,3aS,3bR,5aR,7S,9aR,9bS,10R,11aR)-7-{[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3a,10-dihydroxy-9a-(hydroxymethyl)-11a-methyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-5H-furan-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-11,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

582.304012292 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆O₁₁

0 references

canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(CO)C(O)C(OC)C6O)CCC5(CO)C4C(O)CC23C

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isomeric SMILES

CO[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2CC[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)[C@@H]1O

0 references

found in taxon

Streblus asper

1 reference

stated in

Two New Cardenolide Glycosides from Streblus asper

Identifiers

InChI

InChI=1S/C30H46O11/c1-28-11-20(33)23-19(30(28,37)8-6-18(28)15-9-22(34)39-13-15)4-3-16-10-17(5-7-29(16,23)14-32)40-27-25(36)26(38-2)24(35)21(12-31)41-27/h9,16-21,23-27,31-33,35-37H,3-8,10-14H2,1-2H3/t16-,17+,18-,19-,20-,21-,23-,24-,25-,26+,27-,28-,29-,30+/m1/s1

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InChIKey

WWCOVOOGLZPLFS-IOGAIASPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WWCOVOOGLZPLFS-IOGAIASPSA-N

1 reference

(Q105313925)

4-[(1R,3aS,3bR,5aR,7S,9aR,9bS,10R,11aR)-7-{[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3a,10-dihydroxy-9a-(hydroxymethyl)-11a-methyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-5H-furan-2-one

Statements

Identifiers

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