(Q105228943)

English

[(1R,2S,5R,6S,7S,8R,9S,10S,11R,18R)-10-acetyloxy-6,7,9,18-tetrahydroxy-12,12-dimethyl-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-6-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

468.235932732 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,5R,6R,7S,8R,9S,10S,11S,18R)-10-acetyloxy-6,7,9,18-tetrahydroxy-12,12-dimethyl-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-6-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₆O₉

0 references

canonical SMILES

O=C(OCC1(O)C(O)C23C(O)C1CCC3C45COC2(O)C(OC(=O)C)C5C(C)(C)CCC4)C

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isomeric SMILES

CC(=O)OC[C@]1(O)[C@@H](O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12CCCC(C)(C)[C@H]1[C@H](OC(C)=O)[C@@]3(O)OC2

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found in taxon

Isodon macrocalyx

1 reference

stated in

Structures of macrocalyxin B, F, G and H, and maoyerabdosin from Isodon macrocalyx

Identifiers

InChI

InChI=1S/C24H36O9/c1-12(25)31-11-22(29)14-6-7-15-21-9-5-8-20(3,4)16(21)18(33-13(2)26)24(30,32-10-21)23(15,17(14)27)19(22)28/h14-19,27-30H,5-11H2,1-4H3/t14-,15+,16-,17-,18+,19-,21-,22-,23-,24-/m1/s1

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InChIKey

QVVHQFHGOUAXTG-TWLFWWSESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QVVHQFHGOUAXTG-TWLFWWSESA-N

1 reference

(Q105228943)

[(1R,2S,5R,6S,7S,8R,9S,10S,11R,18R)-10-acetyloxy-6,7,9,18-tetrahydroxy-12,12-dimethyl-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-6-yl]methyl acetate

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Identifiers

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