(Q105211339)

English

[(2R,3R,4R,5R,8R,9S,10R,13S,14S,17R)-3,4-diacetyloxy-17-ethyl-10,13-dimethyl-16-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-2-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[(2R,3R,4R,10R,13S,17R)-3,4-diacetyloxy-17-ethyl-10,13-dimethyl-16-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-2-yl] acetate

1 reference

based on heuristic

inferred from SMILES

7,8-bis(acetyloxy)-1-ethyl-9a,11a-dimethyl-2-oxo-tetradecahydrocyclopenta[a]phenanthren-6-yl acetate

1 reference

based on heuristic

inferred from SMILES

[(2S,3S,4R,10R,13S,17R)-3,4-diacetyloxy-17-ethyl-10,13-dimethyl-16-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-2-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

476.27740362 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,3S,4R,5R,8R,9S,10R,13S,14S,17R)-3,4-diacetyloxy-17-ethyl-10,13-dimethyl-16-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-2-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₀O₇

0 references

canonical SMILES

O=C(OC1CC2(C)C(CCC3C4CC(=O)C(CC)C4(C)CCC32)C(OC(=O)C)C1OC(=O)C)C

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isomeric SMILES

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

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found in taxon

Trichilia claussenii

1 reference

stated in

Androstane and pregnane 2β,19-hemiketal steroids from Trichilia claussenii

Identifiers

InChI

InChI=1S/C27H40O7/c1-7-18-22(31)12-21-17-8-9-20-24(33-15(3)29)25(34-16(4)30)23(32-14(2)28)13-27(20,6)19(17)10-11-26(18,21)5/h17-21,23-25H,7-13H2,1-6H3/t17-,18+,19+,20+,21+,23-,24-,25-,26-,27-/m1/s1

0 references

InChIKey

PLZPNDBFLGCZTJ-YCPYWYAXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PLZPNDBFLGCZTJ-YCPYWYAXSA-N

(Q105211339)

[(2R,3R,4R,5R,8R,9S,10R,13S,14S,17R)-3,4-diacetyloxy-17-ethyl-10,13-dimethyl-16-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-2-yl] acetate

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