(Q105348077)

English

[(3S,6aR,6bS,8aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] 2-phenylacetate

group of stereoisomers with the chemical formula C₃₈H₅₆O₂

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instance of

group of stereoisomers

0 references

subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

544.428031032 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₅₆O₂

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CC=C4C5CC(C)(C)CCC5(C)CCC43C)C1(C)C)CC=6C=CC=CC6

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isomeric SMILES

CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](OC(=O)Cc6ccccc6)C(C)(C)C5CC[C@]43C)C2C1

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found in taxon

Trattinnickia burserifolia

1 reference

stated in

Phytochemistry of Trattinnickia burserifolia, T. rhoifolia, and Dacryodes hopkinsii: chemosystematic implications

Identifiers

InChI

InChI=1S/C38H56O2/c1-33(2)20-21-35(5)22-23-37(7)27(28(35)25-33)14-15-30-36(6)18-17-31(34(3,4)29(36)16-19-38(30,37)8)40-32(39)24-26-12-10-9-11-13-26/h9-14,28-31H,15-25H2,1-8H3/t28?,29?,30?,31-,35+,36-,37+,38+/m0/s1

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InChIKey

YGGMSCSDIISOHL-APUVACDRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YGGMSCSDIISOHL-APUVACDRSA-N

(Q105348077)

[(3S,6aR,6bS,8aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] 2-phenylacetate

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Identifiers

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