(Q105287135)

English

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

group of stereoisomers with the chemical formula C₃₃H₅₄O₁₂

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Statements

instance of

group of stereoisomers

0 references

1 reference

642.361527168 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₄O₁₂

0 references

canonical SMILES

O=C1C=C2C(CCC3(C)C(CCC23O)C(O)(C)C(O)CCC(OC4OC(CO)C(O)C(O)C4O)(C)C)C5(C)CC(O)C(O)CC15

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found in taxon

Rhaponticum carthamoides

1 reference

stated in

Ecdysterones from Rhaponticum carthamoides (Willd.) Iljin reduce hippocampal excitotoxic cell loss and upregulate mTOR signaling in rats

Identifiers

InChI

InChI=1S/C33H54O12/c1-29(2,45-28-27(41)26(40)25(39)22(15-34)44-28)9-8-24(38)32(5,42)23-7-11-33(43)17-12-19(35)18-13-20(36)21(37)14-30(18,3)16(17)6-10-31(23,33)4/h12,16,18,20-28,34,36-43H,6-11,13-15H2,1-5H3

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InChIKey

VJAXSGXKVCCJNY-UHFFFAOYSA-N

0 references

2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

VJAXSGXKVCCJNY-UHFFFAOYSA-N

ChEBI ID

182931

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C33H54O12/c1-29(2,45-28-27(41)26(40)25(39)22(15-34)44-28)9-8-24(38)32(5,42)23-7-11-33(43)17-12-19(35)18-13-20(36)21(37)14-30(18,3)16(17)6-10-31(23,33)4/h12,16,18,20-28,34,36-43H,6-11,13-15H2,1-5H3

(Q105287135)

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

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