(Q105226725)

English

(3S,3'R,3'aS,6'S,6aR,7'aR,9S,10R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,7,8,10,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one

chemical compound

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instance of

type of chemical entity

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subclass of

3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,7,8,10,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one

1 reference

based on heuristic

inferred from SMILES

mass

425.292994108 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₉NO₃

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canonical SMILES

O=C1C2=C(CCC3(OC4CC(C)CNC4C3C)C2C)C5CC=C6CC(O)CCC6(C)C15

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isomeric SMILES

C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@]1(CCC3=C(C(=O)[C@H]4[C@H]3CC=C3C[C@@H](O)CC[C@@]34C)[C@H]1C)[C@@H]2C

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found in taxon

Veratrum album

1 reference

stated in

Alkaloids ofVeratrum lobelianum

Veratrum lobelianum

1 reference

stated in

Alkaloids ofVeratrum lobelianum

Identifiers

InChI

InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14-16,18,20-21,23-24,28-29H,6-13H2,1-4H3/t14-,15+,16+,18-,20-,21+,23+,24-,26-,27-/m0/s1

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InChIKey

QRXOCOSLDOPPKH-PAZHJZPFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QRXOCOSLDOPPKH-PAZHJZPFSA-N

(Q105226725)

(3S,3'R,3'aS,6'S,6aR,7'aR,9S,10R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,7,8,10,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one

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