(Q105191257)

English

(4R,4aS,6aR,6aS,6bR,8aR,12aS,14aS,14bR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

chemical compound

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instance of

type of chemical entity

0 references

1 reference

426.38616622 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4R,4aS,6aR,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(4R,4aS,6aR,6aS,6bR,8aR,12aR,14aS,14bR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(4R,4aS,6aS,6aS,6bR,8aR,12aS,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(4S,4aS,6aS,6aS,6bR,8aR,12aS,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

2 references

based on heuristic

inferred from InChIKey

1 reference

(4S,4aR,6aS,6aS,6bR,8aS,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

1 reference

based on heuristic

inferred from InChI

(4S,4aS,6aS,6aS,6bR,8aS,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

1 reference

based on heuristic

inferred from InChI

(4R,4aS,6aS,6aS,6bS,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

1 reference

based on heuristic

inferred from InChI

(4R,4aR,6aS,6aS,6bS,8aS,12aR,14aR,14bR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

1 reference

based on heuristic

inferred from InChI

(4S,4aS,6aS,6aS,6bS,8aS,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O

0 references

canonical SMILES

O=C1CCC2C(C)(CCC3C2(C)CCC4(C)C5CC(C)(C)CCC5(C)CCC34C)C1C

0 references

isomeric SMILES

C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C

0 references

found in taxon

Hedlundia hybrida

1 reference

stated in

Studies on the Constituents of Undaria pinnatifida. I. : Methanol Soluble Constituents

Diospyros kaki

1 reference

stated in

Studies on the Constituents of the Useful Plants. IV. The Constituents of Calyx of Diospyros kaki. (1)

Isocoma tenuisecta

1 reference

stated in

Isosesquicaren aus Haplopappus tenuisectus

Rhododendron degronianum

1 reference

stated in

Studies on the Constituents of Leaves of Rhododendron degronianum CAHR.

Kothala himbutu

1 reference

stated in

21α,30-Dihydroxy-D:A-friedooleanan-3-one from Salacia reticulata var. β-Diandra stem bark

Scaevola sericea

1 reference

stated in

Constituents of Scaevola frutescens (MILLER) KRAUSE

Scaevola taccada

1 reference

stated in

Constituents of Scaevola frutescens (MILLER) KRAUSE

Undaria pinnatifida

1 reference

stated in

Studies on the Constituents of Undaria pinnatifida. I. : Methanol Soluble Constituents

Xanthocephalum benthamianum

1 reference

stated in

Ein neues diterpen aus Xanthocephalum linearifolium

Identifiers

InChI

InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22-,23+,24-,26+,27+,28-,29+,30-/m0/s1

0 references

InChIKey

OFMXGFHWLZPCFL-IGGALVTDSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

OFMXGFHWLZPCFL-IGGALVTDSA-N

1 reference

(Q105191257)

(4R,4aS,6aR,6aS,6bR,8aR,12aS,14aS,14bR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

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