(Q105178842)

English

(5R,6R,8R,9S,10S,13R,14S,17R)-5-chloro-6,14,17-trihydroxy-17-[(1R)-1-[(1S,2R,4R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10,13-dimethyl-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-1-one

chemical compound

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type of chemical entity

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subclass of

5a-chloro-1,3a,5-trihydroxy-1-(1-{2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl}ethyl)-9a,11a-dimethyl-2H,3H,3bH,4H,5H,6H,9bH,10H,11H-cyclopenta[a]phenanthren-9-one

1 reference

based on heuristic

inferred from SMILES

mass

524.254081332 dalton

1 reference

1 reference

C₂₈H₄₁ClO₇

0 references

canonical SMILES

O=C1C=CCC2(Cl)C(O)CC3C(CCC4(C)C(O)(CCC34O)C(C)C5OC(O)C6(OC6(C)C5)C)C12C

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isomeric SMILES

C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@]1(O)CC[C@]2(O)[C@@H]3C[C@@H](O)[C@@]4(Cl)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]21C

0 references

found in taxon

Jaborosa bergii

1 reference

stated in

15,21-Cyclowithanolides from Jaborosa bergii

Identifiers

InChI

InChI=1S/C28H41ClO7/c1-15(18-14-23(3)25(5,36-23)21(32)35-18)27(33)11-12-28(34)17-13-20(31)26(29)9-6-7-19(30)24(26,4)16(17)8-10-22(27,28)2/h6-7,15-18,20-21,31-34H,8-14H2,1-5H3/t15-,16+,17-,18-,20-,21-,22+,23+,24+,25-,26+,27-,28+/m1/s1

0 references

InChIKey

NGDNSEJCTJLCLZ-KACLDGTGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NGDNSEJCTJLCLZ-KACLDGTGSA-N

(Q105178842)

(5R,6R,8R,9S,10S,13R,14S,17R)-5-chloro-6,14,17-trihydroxy-17-[(1R)-1-[(1S,2R,4R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10,13-dimethyl-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-1-one

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Identifiers

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