(Q105117061)

English

(1S)-1-[(2S,4aS,4bR,7R,8aS)-7-hydroxy-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthren-2-yl]ethane-1,2-diol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

1-(7-hydroxy-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthren-2-yl)ethane-1,2-diol

1 reference

based on heuristic

inferred from SMILES

mass

322.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S)-1-[(2S,4aR,4bS,7R,8aS)-7-hydroxy-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthren-2-yl]ethane-1,2-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S)-1-[(2S,4aR,4bS,7S,8aS)-7-hydroxy-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthren-2-yl]ethane-1,2-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S)-1-[(2S,4aS,4bR,7R,8aR)-7-hydroxy-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthren-2-yl]ethane-1,2-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₄O₃

0 references

canonical SMILES

OCC(O)C1(C)CC2=CCC3C(C)(C)C(O)CCC3(C)C2CC1

0 references

isomeric SMILES

CC1(C)[C@H]2CC=C3C[C@@](C)([C@H](O)CO)CC[C@@H]3[C@@]2(C)CC[C@H]1O

0 references

found in taxon

Palafoxia rosea

1 reference

stated in

Neue labdan- und pimaren-derivate aus Palafoxia rosea

Identifiers

InChI

InChI=1S/C20H34O3/c1-18(2)15-6-5-13-11-19(3,17(23)12-21)9-7-14(13)20(15,4)10-8-16(18)22/h5,14-17,21-23H,6-12H2,1-4H3/t14-,15+,16+,17+,19-,20+/m0/s1

0 references

InChIKey

IPCMBTDAOTZSDG-NDOCZDNFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IPCMBTDAOTZSDG-NDOCZDNFSA-N

(Q105117061)

(1S)-1-[(2S,4aS,4bR,7R,8aS)-7-hydroxy-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthren-2-yl]ethane-1,2-diol

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