(Q105246251)

English

(2S,3R,5R,9R,10R,13R,14S,16S,17R)-17-[(2R,3R,5R)-2,3-dihydroxy-5,6-dimethylheptan-2-yl]-2,3,14,16-tetrahydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

chemical compound

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instance of

type of chemical entity

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subclass of

17-(2,3-dihydroxy-5,6-dimethylheptan-2-yl)-2,3,14,16-tetrahydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

1 reference

1 reference

494.324353812 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₆O₇

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canonical SMILES

O=C1C=C2C(CCC3(C)C(C(O)CC23O)C(O)(C)C(O)CC(C)C(C)C)C4(C)CC(O)C(O)CC14

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isomeric SMILES

CC(C)[C@H](C)C[C@@H](O)[C@](C)(O)[C@H]1[C@@H](O)C[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C

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found in taxon

Polyporus umbellatus

1 reference

stated in

New anti-inflammatory ergostane-type ecdysteroids from the sclerotium of Polyporus umbellatus

Identifiers

InChI

InChI=1S/C28H46O7/c1-14(2)15(3)9-23(33)27(6,34)24-22(32)13-28(35)17-10-19(29)18-11-20(30)21(31)12-25(18,4)16(17)7-8-26(24,28)5/h10,14-16,18,20-24,30-35H,7-9,11-13H2,1-6H3/t15-,16+,18+,20-,21+,22+,23-,24+,25-,26-,27+,28-/m1/s1

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InChIKey

RVRAYMBCPTYQKZ-CBNZLNCCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RVRAYMBCPTYQKZ-CBNZLNCCSA-N

(Q105246251)

(2S,3R,5R,9R,10R,13R,14S,16S,17R)-17-[(2R,3R,5R)-2,3-dihydroxy-5,6-dimethylheptan-2-yl]-2,3,14,16-tetrahydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

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Identifiers

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