(Q104193214)

English

9-(3-chloro-2-hydroxy-3-methylbutyl)-1,2,24,24-tetramethyl-22-(2-methylprop-1-en-1-yl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.0²,¹³.0³,¹¹.0⁵,¹⁰.0¹⁷,¹⁹.0¹⁷,²⁷.0²⁰,²⁵]nonacosa-3(11),5,7,9-tetraen-16-ol

group of stereoisomers with the chemical formula C₃₇H₅₀ClNO₆

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instance of

group of stereoisomers

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subclass of

indole-diterpenoid alkaloid

1 reference

inferred from

indole-diterpenoid alkaloid

mass

639.3326660000001 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₅₀ClNO₆

0 references

canonical SMILES

ClC(C)(C)C(O)CC=1C=CC=C2NC3=C(C21)CC4CCC5(O)C67OC7C8OC(OC(C)(C)C8OC6CCC5(C)C34C)C=C(C)C

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Identifiers

InChI

InChI=1S/C37H50ClNO6/c1-19(2)16-26-43-28-30(33(5,6)44-26)42-25-13-14-34(7)35(8)21(12-15-36(34,41)37(25)31(28)45-37)18-22-27-20(17-24(40)32(3,4)38)10-9-11-23(27)39-29(22)35/h9-11,16,21,24-26,28,30-31,39-41H,12-15,17-18H2,1-8H3

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InChIKey

OBPUTJWEHDHPHS-UHFFFAOYSA-N

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PubChem CID

162814368

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

OBPUTJWEHDHPHS-UHFFFAOYSA-N

(Q104193214)

9-(3-chloro-2-hydroxy-3-methylbutyl)-1,2,24,24-tetramethyl-22-(2-methylprop-1-en-1-yl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.0²,¹³.0³,¹¹.0⁵,¹⁰.0¹⁷,¹⁹.0¹⁷,²⁷.0²⁰,²⁵]nonacosa-3(11),5,7,9-tetraen-16-ol

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