(Q105153349)

English

[(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,8R,9R,10R,13R,14S,16R,17R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[5-Hydroxy-1,1-dimethyl-4-oxo-5-(2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hexyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

562.35056856 dalton

1 reference

1 reference

C₃₂H₅₀O₈

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canonical SMILES

O=C(OC(C)(C)CCC(=O)C(O)(C)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C(=O)CC12C)C)C

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isomeric SMILES

CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C

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found in taxon

Hemsleya graciliflora

1 reference

stated in

Saponins from Chinese medicinal plant, Hemsleya graciliflora (Cucurbitaceae).

Identifiers

InChI

InChI=1S/C32H50O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,19-22,25-26,34-35,38-39H,11-16H2,1-9H3/t19-,20+,21-,22-,25+,26-,29+,30-,31+,32+/m1/s1

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InChIKey

LKYNAQSYQLFTCM-QGGINPGUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LKYNAQSYQLFTCM-QGGINPGUSA-N

(Q105153349)

[(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,8R,9R,10R,13R,14S,16R,17R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate

Statements

Identifiers

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