(Q105235478)

English

3-[(3S,5S,8R,9S,10S,13R,17S)-10,13-dimethyl-3-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

group of stereoisomers with the chemical formula C₂₉H₄₂O₈

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Statements

instance of

group of stereoisomers

0 references

1 reference

518.287968304 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₂O₈

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canonical SMILES

O=C1OCC(=C1)C2CC=C3C4CCC5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC32C

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isomeric SMILES

C[C@]12CC[C@H](O[C@@H]3OC(CO)[C@@H](O)C(O)[C@@H]3O)C[C@@H]1CC[C@H]1C3=CC[C@H](C4=CC(=O)OC4)[C@@]3(C)CC[C@@H]12

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found in taxon

Calotropis procera

1 reference

stated in

Secondary metabolites from Calotropis procera (Aiton)

Identifiers

InChI

InChI=1S/C29H42O8/c1-28-9-7-17(36-27-26(34)25(33)24(32)22(13-30)37-27)12-16(28)3-4-18-20-6-5-19(15-11-23(31)35-14-15)29(20,2)10-8-21(18)28/h6,11,16-19,21-22,24-27,30,32-34H,3-5,7-10,12-14H2,1-2H3/t16-,17-,18-,19+,21-,22?,24+,25?,26-,27+,28-,29+/m0/s1

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InChIKey

RFLSSMTUPPBUHS-BBTSLSMFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RFLSSMTUPPBUHS-BBTSLSMFSA-N

(Q105235478)

3-[(3S,5S,8R,9S,10S,13R,17S)-10,13-dimethyl-3-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

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Identifiers

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