(Q104996103)

English

1-[(3R,8R,9R,10R,13R,14S)-3-[(2R,3S,4R,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-[3-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

1 reference

based on heuristic

inferred from SMILES

mass

622.33531242 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1-[(3S,8R,9S,10R,13S,14S)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₅₀O₁₁

0 references

canonical SMILES

O=C(C1=CCC2C3CC=C4CC(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC12C)C

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isomeric SMILES

CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@H](O[C@@H]5O[C@@H](CO)[C@H](O[C@H]6O[C@@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@@]12C

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found in taxon

Dioscorea spongiosa

1 reference

stated in

Steroidal glycosides from the rhizomes of Dioscorea spongiosa

Identifiers

InChI

InChI=1S/C33H50O11/c1-15(35)20-7-8-21-19-6-5-17-13-18(9-11-32(17,3)22(19)10-12-33(20,21)4)42-31-28(40)26(38)29(23(14-34)43-31)44-30-27(39)25(37)24(36)16(2)41-30/h5,7,16,18-19,21-31,34,36-40H,6,8-14H2,1-4H3/t16-,18+,19-,21-,22+,23-,24-,25-,26+,27+,28-,29-,30+,31+,32-,33-/m0/s1

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InChIKey

FJKKWBCBTYEUBC-ALTPCJKXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FJKKWBCBTYEUBC-ALTPCJKXSA-N

(Q104996103)

1-[(3R,8R,9R,10R,13R,14S)-3-[(2R,3S,4R,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Statements

Identifiers

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