(Q105303212)

English

(1S,3R,6S,8S,9S,11R,12S,14S,15R,16R)-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol

chemical compound

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type of chemical entity

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1 reference

1 reference

(1S,3R,8R,11S,12S,16R)-15-[(2R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol

1 reference

based on heuristic

inferred from SMILES

(6S,9S,11S,12S,14S,15R,16R)-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol

1 reference

based on heuristic

inferred from SMILES

mass

490.3658247 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,3R,6S,8R,9S,11S,12S,14S,15S,16R)-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,3R,6S,8R,9S,11S,12S,14R,15R,16R)-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol

1 reference

1 reference

(1S,3R,6S,8S,9S,11S,12S,14S,15R,16R)-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol

1 reference

1 reference

C₃₀H₅₀O₅

0 references

canonical SMILES

OC1CC2C3(C)CC(O)C(C4(OC(CC4)C(O)(C)C)C)C3(C)CCC52CC65CCC(O)C(C)(C)C16

0 references

isomeric SMILES

CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@H]4C[C@H](O)[C@@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)O1

0 references

found in taxon

Astragalus amarus

1 reference

stated in

Triterpene glycosides of Astragalus and their genins XXX. Cycloaraloside A from Astragalus amarus

Astragalus galegiformis

1 reference

stated in

Triterpene glycosides of Astragalus and of their genins. X. Cyclogalegigenin from Astragalus galegiformis

Identifiers

InChI

InChI=1S/C30H50O5/c1-24(2)20(33)8-11-30-16-29(30)13-12-26(5)23(28(7)10-9-21(35-28)25(3,4)34)18(32)15-27(26,6)19(29)14-17(31)22(24)30/h17-23,31-34H,8-16H2,1-7H3/t17-,18-,19+,20-,21-,22+,23-,26+,27-,28+,29-,30+/m0/s1

0 references

InChIKey

WENNXORDXYGDTP-VAOFXMRMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WENNXORDXYGDTP-VAOFXMRMSA-N

(Q105303212)

(1S,3R,6S,8S,9S,11R,12S,14S,15R,16R)-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol

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