(Q105371394)

English

(1S,2S,5S,6R,7S,8S,9R,12R,15R,16R)-1,5,6,7,8-pentahydroxy-8-(hydroxymethyl)-4,11,11,15-tetramethyl-10-oxatetracyclo[7.6.1.02,6.012,16]hexadec-3-en-13-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1,5,6,7,8-Pentahydroxy-8-(hydroxymethyl)-4,11,11,15-tetramethyl-10-oxatetracyclo[7.6.1.02,6.012,16]hexadec-3-en-13-one

1 reference

based on heuristic

inferred from SMILES

mass

398.19406792 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₈

0 references

canonical SMILES

O=C1CC(C)C2(O)C3C=C(C)C(O)C3(O)C(O)C(O)(CO)C4OC(C)(C)C1C42

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isomeric SMILES

CC1=C[C@H]2[C@]3(O)[C@H](C)CC(=O)[C@@H]4[C@@H]3[C@@H](OC4(C)C)[C@](O)(CO)[C@@H](O)[C@]2(O)[C@H]1O

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found in taxon

Neoboutonia mannii

1 reference

stated in

Diterpenoids from Neoboutonia glabrescens (Euphorbiaceae).

Identifiers

InChI

InChI=1S/C20H30O8/c1-8-5-11-19(26)9(2)6-10(22)12-13(19)15(28-17(12,3)4)18(25,7-21)16(24)20(11,27)14(8)23/h5,9,11-16,21,23-27H,6-7H2,1-4H3/t9-,11+,12-,13-,14+,15-,16-,18-,19-,20-/m1/s1

0 references

InChIKey

ZCRNYQYHLSLSTH-XXLLPAFDSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105371394)

(1S,2S,5S,6R,7S,8S,9R,12R,15R,16R)-1,5,6,7,8-pentahydroxy-8-(hydroxymethyl)-4,11,11,15-tetramethyl-10-oxatetracyclo[7.6.1.02,6.012,16]hexadec-3-en-13-one

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Identifiers

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