(Q104915047)

English

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

1 reference

based on heuristic

inferred from SMILES

mass

580.288362228 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₄O₁₁

0 references

canonical SMILES

O=C1OC=C(C=C1)C2C(O)CC3(O)C4CCC5(O)CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC23C

0 references

isomeric SMILES

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

0 references

found in taxon

Drimia elata

1 reference

stated in

Bufadienolides from Drimia robusta BAK

Identifiers

InChI

InChI=1S/C30H44O11/c1-27-8-5-16(40-26-25(36)24(35)23(34)20(13-31)41-26)11-29(27,37)10-7-18-17(27)6-9-28(2)22(19(32)12-30(18,28)38)15-3-4-21(33)39-14-15/h3-4,14,16-20,22-26,31-32,34-38H,5-13H2,1-2H3/t16-,17-,18+,19-,20+,22-,23+,24-,25+,26+,27+,28+,29-,30-/m0/s1

0 references

InChIKey

ANAHNOBSBAKDHZ-RWLCALIESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ANAHNOBSBAKDHZ-RWLCALIESA-N

(Q104915047)

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

Statements

Identifiers

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