(Q105264427)

English

[(3R,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(17-acetyl-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl) 3,4-dimethylpent-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

474.298139064 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(3R,8R,9R,10R,12R,13S,14S,17R)-17-acetyl-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate

1 reference

based on heuristic

inferred from InChIKey

1 reference

C₂₈H₄₂O₆

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canonical SMILES

O=C(OC1CC2C(O)(CC=C3CC(O)CCC32C)C4(O)CCC(C(=O)C)C14C)C=C(C)C(C)C

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isomeric SMILES

CC(=O)[C@@H]1CC[C@]2(O)[C@]3(O)CC=C4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C

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found in taxon

Araujia sericifera

1 reference

stated in

Acylated-oxypregnane glycosides from the roots of Araujia sericifera

Identifiers

InChI

InChI=1S/C28H42O6/c1-16(2)17(3)13-24(31)34-23-15-22-25(5)10-8-20(30)14-19(25)7-11-27(22,32)28(33)12-9-21(18(4)29)26(23,28)6/h7,13,16,20-23,30,32-33H,8-12,14-15H2,1-6H3/b17-13+/t20-,21+,22-,23-,25+,26+,27+,28-/m1/s1

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InChIKey

SZUXICHIYZJLOY-KJBNOKJDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SZUXICHIYZJLOY-KJBNOKJDSA-N

(Q105264427)

[(3R,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate

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