(Q105129881)

English

[(1S,2S,3R,6R,7R,9R,10S,11S,12S,13R,14S)-2,6,9,11,13,14-hexahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

493.2311817 dalton

1 reference

2 references

inferred from InChIKey

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inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₅NO₉

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canonical SMILES

O=C(OC1C(O)(C(C)C)C2(C)C3(O)OC45C(O)C(C)CCC4(O)C(C)(C3)C1(O)C52O)C6=CC=CN6

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isomeric SMILES

CC(C)[C@@]1(O)[C@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(O)[C@@]1(C)[C@@]1(O)C[C@]2(C)[C@]2(O)CC[C@@H](C)[C@H](O)[C@@]32O1

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found in taxon

Ryania speciosa

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stated in

9, 21-Didehydroryanodine: a new principal toxic constituent of the botanical insecticide Ryania

Identifiers

InChI

InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3/t13-,15+,17+,18-,19+,20-,21-,22-,23+,24+,25+/m1/s1

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InChIKey

JJSYXNQGLHBRRK-BOEHKCAMSA-N

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17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JJSYXNQGLHBRRK-BOEHKCAMSA-N

1 reference

(Q105129881)

[(1S,2S,3R,6R,7R,9R,10S,11S,12S,13R,14S)-2,6,9,11,13,14-hexahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate

Statements

Identifiers

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