(Q104397710)

English

(1S,2R,3R,4S,5S,6S,8S,13R,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol

group of stereoisomers with the chemical formula C₂₂H₃₅NO₄

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instance of

group of stereoisomers

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subclass of

(2R,3R,4S,5S,6S,8S,13R,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol

1 reference

based on heuristic

inferred from SMILES

mass

377.2566086 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₃₅NO₄

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canonical SMILES

OC1CCC2(C)CN(CC)C3C4CC2C13C5CC6C(O)C5C4(O)CC6OC

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isomeric SMILES

CCN1C[C@]2(C)CC[C@H](O)[C@]34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O

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found in taxon

Delphinium davisii

1 reference

stated in

Diterpenoid alkaloids from Delphinium caeruleum

Identifiers

InChI

InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22-/m1/s1

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InChIKey

HKQZUYOVMYOFIT-MRKJBDNISA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

HKQZUYOVMYOFIT-MRKJBDNISA-N

1 reference

(Q104397710)

(1S,2R,3R,4S,5S,6S,8S,13R,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol

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