(Q104937175)

English

5-[(3R,8S,9S,10S,13R,14R,17R)-8,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5-[8,14-dihydroxy-10,13-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one

1 reference

based on heuristic

inferred from SMILES

mass

562.277797544 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

5-[(3S,8S,9R,10R,13R,14R,17S)-8,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₂O₁₀

0 references

canonical SMILES

O=C1OC=C(C=C1)C2CCC3(O)C4(O)CCC5=CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC23C

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isomeric SMILES

C[C@@]12CC[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C1CC[C@]1(O)[C@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O

0 references

found in taxon

Drimia maritima

1 reference

stated in

6. Die Herzglykoside der roten Meerzwiebel (Scilla maritima): Scillirubrosid 54. Mitteilung iiber Herzglykoside [1]

Urginea maritima

1 reference

stated in

6. Die Herzglykoside der roten Meerzwiebel (Scilla maritima): Scillirubrosid 54. Mitteilung iiber Herzglykoside [1]

Identifiers

InChI

InChI=1S/C30H42O10/c1-27-9-6-18(39-26-25(35)24(34)23(33)20(14-31)40-26)13-17(27)5-11-29(36)21(27)8-10-28(2)19(7-12-30(28,29)37)16-3-4-22(32)38-15-16/h3-4,13,15,18-21,23-26,31,33-37H,5-12,14H2,1-2H3/t18-,19-,20-,21+,23-,24+,25-,26-,27-,28-,29+,30-/m1/s1

0 references

InChIKey

BJMUUWKMFHDGQB-PDGWGKINSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BJMUUWKMFHDGQB-PDGWGKINSA-N

(Q104937175)

5-[(3R,8S,9S,10S,13R,14R,17R)-8,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one

Statements

Identifiers

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