(Q105151013)

English

[(3S,4aS,6aR,6aS,8aR,12aS,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] hexadecanoate

chemical compound

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Statements

type of chemical entity

0 references

(4,4,6a,6a,8a,11,11,14b-Octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl) hexadecanoate

1 reference

based on heuristic

inferred from SMILES

664.6158318 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₆H₈₀O₂

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canonical SMILES

O=C(OC1CCC2(C)C3CCC4(C(=CCC5(C)CCC(C)(C)CC45)C3(C)CCC2C1(C)C)C)CCCCCCCCCCCCCCC

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isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C4=CC[C@@]5(C)CCC(C)(C)C[C@@H]5[C@]4(C)CC[C@@H]32)C1(C)C

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Thomandersia laurifolia

1 reference

Thomandersine and isothomandersine, 2-indolinone alkaloids from Thomandersia laurifolia

Identifiers

InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-27-31-44(7)35(42(39,4)5)25-29-45(8)36-24-28-43(6)33-32-41(2,3)34-38(43)46(36,9)30-26-37(44)45/h24,35,37-39H,10-23,25-34H2,1-9H3/t35-,37-,38+,39+,43+,44+,45+,46-/m1/s1

0 references

LFGNPWDWHPYHSY-ZYJFYGNLSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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