(Q105373814)

English

[(3S,4aS,6aS,6aS,6bR,8aS,12S,12aR,14aR,14bR)-4,4,6a,8a,11,12,14b-heptamethyl-1,2,3,4a,5,6,6a,6b,7,8,9,12,12a,13,14,14a-hexadecahydropicen-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4,4,6a,8a,11,12,14b-heptamethyl-1,2,3,4a,5,6,6b,7,8,9,12,12a,12b,13,14,14a-hexadecahydropicen-3-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

454.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₀O₂

0 references

canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C4CCC5(C)CC=C(C)C(C)C5C4CCC32)C1(C)C)C

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isomeric SMILES

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

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found in taxon

Shorea longisperma

1 reference

stated in

Constituents of Dipterocarpaceae Resins. IV. Triterpenes of Shorea acuminata and S. resina-nigra

Identifiers

InChI

InChI=1S/C31H50O2/c1-19-11-15-29(6)16-12-23-22(27(29)20(19)2)9-10-25-30(23,7)17-13-24-28(4,5)26(33-21(3)32)14-18-31(24,25)8/h11,20,22-27H,9-10,12-18H2,1-8H3/t20-,22+,23-,24-,25-,26+,27+,29-,30+,31+/m1/s1

0 references

InChIKey

ZEXIWGOYGIHKOL-WSAHZAGVSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105373814)

[(3S,4aS,6aS,6aS,6bR,8aS,12S,12aR,14aR,14bR)-4,4,6a,8a,11,12,14b-heptamethyl-1,2,3,4a,5,6,6a,6b,7,8,9,12,12a,13,14,14a-hexadecahydropicen-3-yl] acetate

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Identifiers

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