(Q104888552)

English

[(1S,2R,3R,4S,5R,6S,8R,12S,13S,16S,19S,20S,21S)-14-ethyl-6,20-dihydroxy-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(14-Ethyl-6,20-dihydroxy-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

493.267567208 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₉NO₈

0 references

canonical SMILES

O=C(OC1C2(O)C3(C)CN(CC)C4C51OCOC65CC(O)C7CC(C6C7OC)C42C(OC)CC3)C

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isomeric SMILES

CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@H]1[C@]1(OCO[C@@]15C[C@H](O)[C@H]1C[C@@H]3[C@@H]5[C@H]1OC)[C@@H](OC(C)=O)[C@]24O

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found in taxon

Delphinium nordhagenii

1 reference

stated in

Norditerpenoid alkaloids from Delphinium nordhagenii.

Identifiers

InChI

InChI=1S/C26H39NO8/c1-6-27-11-22(3)8-7-17(31-4)24-15-9-14-16(29)10-23(18(15)19(14)32-5)25(20(24)27,34-12-33-23)21(26(22,24)30)35-13(2)28/h14-21,29-30H,6-12H2,1-5H3/t14-,15-,16+,17+,18-,19+,20+,21-,22+,23-,24-,25+,26+/m1/s1

0 references

InChIKey

LSRXFDWJTLRMHG-UDSBXOACSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LSRXFDWJTLRMHG-UDSBXOACSA-N

(Q104888552)

[(1S,2R,3R,4S,5R,6S,8R,12S,13S,16S,19S,20S,21S)-14-ethyl-6,20-dihydroxy-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-yl] acetate

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Identifiers

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