(Q105238400)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

502.293053684 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₂O₇

0 references

canonical SMILES

O=C1C=CC=C2C(O)CC3C(CCC4(C)C(O)(CCC34O)C(C)C5OC(O)(C)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@](C)(O)O1)[C@]1(O)CC[C@]2(O)[C@@H]3C[C@@H](O)C4=CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C

0 references

found in taxon

Jaborosa bergii

1 reference

stated in

14β,17β-dihydroxywithanolides from Jaborosa bergii

Identifiers

InChI

InChI=1S/C29H42O7/c1-16(21-15-24(3)26(5,36-24)27(6,32)35-21)28(33)12-13-29(34)19-14-20(30)18-8-7-9-22(31)25(18,4)17(19)10-11-23(28,29)2/h7-9,16-17,19-21,30,32-34H,10-15H2,1-6H3/t16-,17+,19-,20-,21-,23-,24+,25-,26+,27-,28-,29+/m1/s1

0 references

InChIKey

RKFCLQILUORBKT-HVMJAVBMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RKFCLQILUORBKT-HVMJAVBMSA-N

(Q105238400)

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

Statements

Identifiers

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