(Q105186450)

English

(1S,2R,3R,5S,9S,10S,13R,14S,17S)-1,2,3,5,14-pentahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one

chemical compound

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instance of

type of chemical entity

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subclass of

1,2,3,5,14-Pentahydroxy-10,13-dimethyl-17-(2,3,6-trihydroxy-6-methylheptan-2-yl)-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one

1 reference

based on heuristic

inferred from SMILES

mass

512.298532988 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₄O₉

0 references

canonical SMILES

O=C1C=C2C(CCC3(C)C(CCC23O)C(O)(C)C(O)CCC(O)(C)C)C4(C)C(O)C(O)C(O)CC14O

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isomeric SMILES

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

0 references

found in taxon

Rhaponticum integrifolium

2 references

stated in

Phytoecdysones ofRhaponticum integrifolium III. Integristerone B

stated in

Ecdysteroids of flowering plants (Angiospermae)

Silene brahuica

1 reference

stated in

Ecdysteroids of flowering plants (Angiospermae)

Rhaponticum carthamoides

3 references

stated in

Chemistry and pharmacology of Rhaponticum carthamoides: a review.

stated in

Ecdysteroids of flowering plants (Angiospermae)

stated in

Minor Ecdysteroid Components of Leuzea carthamoides

Identifiers

InChI

InChI=1S/C27H44O9/c1-22(2,33)9-8-18(29)25(5,34)17-7-11-26(35)15-12-19(30)27(36)13-16(28)20(31)21(32)24(27,4)14(15)6-10-23(17,26)3/h12,14,16-18,20-21,28-29,31-36H,6-11,13H2,1-5H3/t14-,16+,17-,18+,20+,21+,23+,24-,25+,26+,27+/m0/s1

0 references

InChIKey

NVWOXHIJJRKUQA-RUFJGOCRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NVWOXHIJJRKUQA-RUFJGOCRSA-N

1 reference

(Q105186450)

(1S,2R,3R,5S,9S,10S,13R,14S,17S)-1,2,3,5,14-pentahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one

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Identifiers

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