(Q76423820)

English

(+)-16-Gammaceren-3beta-ol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4a,5,6,7,10,11,12,12b,13,14,14a-tetradecahydropicen-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

426.38616622 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Gammacer-16-en-3alpha-ol

1 reference

based on heuristic

inferred from InChI

(3R,4aS,6aR,6aR,6bR,12aR,14aR,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,10,11,12,13,14,14a-tetradecahydropicen-3-ol

1 reference

based on heuristic

inferred from InChI

(3S,4aR,6aS,6aR,6bR,12aR,14aS,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,10,11,12,13,14,14a-tetradecahydropicen-3-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O

0 references

canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CCC4C5(C(=CCC43C)C(C)(C)CCC5)C)C1(C)C

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isomeric SMILES

C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC=C5[C@@]4(CCCC5(C)C)C)C)C)(C)C)O

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found in taxon

Picris hieracioides

1 reference

stated in

Composite Constituents: Forty-Two Triterpenoids Including Eight Novel Compounds Isolated from Picris hieracioides subsp. japonica.

Swertia chirata

1 reference

stated in

Swertane triterpenoids from Swertia chirata

Swertia chirayita

1 reference

stated in

Swertane triterpenoids from Swertia chirata

Swertia chirayta

1 reference

stated in

Swertane triterpenoids from Swertia chirata

Identifiers

InChI

InChI=1S/C30H50O/c1-25(2)15-9-16-27(5)20(25)12-18-29(7)22(27)10-11-23-28(6)17-14-24(31)26(3,4)21(28)13-19-30(23,29)8/h12,21-24,31H,9-11,13-19H2,1-8H3/t21-,22+,23+,24-,27-,28-,29+,30+/m0/s1

0 references

InChIKey

PUTXDAKUBZBEOG-VTYFQIIBSA-N

0 references

0 references

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

30 June 2018

(Q76423820)

(+)-16-Gammaceren-3beta-ol

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