(Q104961158)

English

(3S,4aR,6aR,6bR,8aR,12aS,14aR,14bS)-4,4,6a,6b,8a,11,11,14a,14b-nonamethyl-2,3,4a,5,6,7,8,9,10,12,12a,14-dodecahydro-1H-picen-3-ol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

4,4,6a,6b,8a,11,11,14a,14b-nonamethyl-2,3,4a,5,6,7,8,9,10,12,12a,14-dodecahydro-1H-picen-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

440.401816284 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,4aR,6aR,6bR,8aR,12aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14a,14b-nonamethyl-2,3,4a,5,6,7,8,9,10,12,12a,14-dodecahydro-1H-picen-3-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₁H₅₂O

0 references

canonical SMILES

OC1CCC2(C)C(CCC3(C)C4(C(=CCC23C)C5CC(C)(C)CCC5(C)CC4)C)C1(C)C

0 references

isomeric SMILES

CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@]4(C)[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]2C1

0 references

found in taxon

Pilocarpus grandiflorus

1 reference

stated in

A New Imidazole Alkaloid and Other Constituents from Pilocarpus grandiflorus and their Antifungal Activity

Identifiers

InChI

InChI=1S/C31H52O/c1-25(2)16-17-27(5)18-19-28(6)21(22(27)20-25)10-14-31(9)29(7)13-12-24(32)26(3,4)23(29)11-15-30(28,31)8/h10,22-24,32H,11-20H2,1-9H3/t22-,23+,24+,27-,28-,29+,30+,31-/m1/s1

0 references

InChIKey

CJHZEDXCLDLSRZ-TZLMEBMFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CJHZEDXCLDLSRZ-TZLMEBMFSA-N

(Q104961158)

(3S,4aR,6aR,6bR,8aR,12aS,14aR,14bS)-4,4,6a,6b,8a,11,11,14a,14b-nonamethyl-2,3,4a,5,6,7,8,9,10,12,12a,14-dodecahydro-1H-picen-3-ol

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