(Q105287792)

English

[(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

pregnane steroid

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mass

462.261753556 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₈O₇

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canonical SMILES

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

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isomeric SMILES

C/C=C(\C)C(=O)O[C@@H]1C[C@H]2[C@@](O)(CC=C3C[C@@H](O)CC[C@@]32C)[C@@]2(O)CC[C@@](O)(C(C)=O)[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/C26H38O7/c1-6-15(2)21(29)33-20-14-19-22(4)9-8-18(28)13-17(22)7-10-25(19,31)26(32)12-11-24(30,16(3)27)23(20,26)5/h6-7,18-20,28,30-32H,8-14H2,1-5H3/b15-6+/t18-,19+,20+,22-,23+,24+,25-,26+/m0/s1

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InChIKey

VKIVNVHEEXIDMH-NCICSXJPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VKIVNVHEEXIDMH-NCICSXJPSA-N

(Q105287792)

[(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-2-methylbut-2-enoate

Statements

Identifiers

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