(Q104981028)

English

5-[(3R,5S,8R,9S,10R,11R,13R,14S,17R)-3,5,11,14-tetrahydroxy-10,13-dimethyl-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-{3a,5a,7,10-tetrahydroxy-9a,11a-dimethyl-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl}pyran-2-one

1 reference

based on heuristic

inferred from SMILES

mass

418.235538808 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₄O₆

0 references

canonical SMILES

O=C1OC=C(C=C1)C2CCC3(O)C4CCC5(O)CC(O)CCC5(C)C4C(O)CC23C

0 references

isomeric SMILES

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

0 references

found in taxon

Rhabdophis tigrinus

1 reference

stated in

Activities of novel polyhydroxylated cardiotonic steroids purified from nuchal glands of the snake, Rhabdophis tigrinus

Identifiers

InChI

InChI=1S/C24H34O6/c1-21-8-5-15(25)11-23(21,28)9-6-17-20(21)18(26)12-22(2)16(7-10-24(17,22)29)14-3-4-19(27)30-13-14/h3-4,13,15-18,20,25-26,28-29H,5-12H2,1-2H3/t15-,16-,17-,18-,20-,21-,22-,23+,24+/m1/s1

0 references

InChIKey

DHZAUUHFNLOXIY-YJMBEVKBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DHZAUUHFNLOXIY-YJMBEVKBSA-N

(Q104981028)

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

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Identifiers

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