(Q105259130)

English

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

chemical compound

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type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

478.293053684 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₂O₇

0 references

canonical SMILES

O=C1C=C2C(CCC3(C)C(CCC23O)C(O)C(O)CC(=C)C(O)(C)C)C4(C)CC(O)C(O)CC14

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isomeric SMILES

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

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found in taxon

Rhaponticum integrifolium

1 reference

stated in

Phytoecdysones ofRhaponticum integrifolium III. Integristerone B

Identifiers

InChI

InChI=1S/C27H42O7/c1-14(24(2,3)33)10-21(30)23(32)16-7-9-27(34)17-11-19(28)18-12-20(29)22(31)13-25(18,4)15(17)6-8-26(16,27)5/h11,15-16,18,20-23,29-34H,1,6-10,12-13H2,2-5H3/t15-,16+,18-,20+,21+,22-,23+,25+,26+,27+/m0/s1

0 references

InChIKey

SRHNFDFUXASSDU-VYWYJBDSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SRHNFDFUXASSDU-VYWYJBDSSA-N

(Q105259130)

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

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