(Q105314804)

English

(2R)-2-[(1aR,1bS,3R,3aR,5R,7bR,9R)-3,9-bis(acetyloxy)-1a-[(acetyloxy)methyl]-5,7b-dimethyl-1H,1bH,2H,3H,3aH,4H,6H,8H,9H,9aH-cyclopropa[a]phenanthren-5-yl]-2-bromoethyl acetate

group of stereoisomers with the chemical formula C₂₈H₃₉BrO₈

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instance of

group of stereoisomers

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subclass of

cyclopimarane diterpenoid

1 reference

inferred from

cyclopimarane diterpenoid

mass

582.1828303079999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₈H₃₉BrO₈

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canonical SMILES

O=C(OCC(Br)C1(C)CC=C2C(C1)C(OC(=O)C)CC3C2(C)CC(OC(=O)C)C4CC43COC(=O)C)C

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isomeric SMILES

CC(=O)OC[C@H](Br)[C@]1(C)CC=C2[C@@H](C1)[C@H](OC(C)=O)C[C@H]1[C@@]2(C)C[C@@H](OC(C)=O)C2C[C@]21COC(C)=O

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Identifiers

InChI

InChI=1S/C28H39BrO8/c1-15(30)34-13-25(29)26(5)8-7-20-19(10-26)22(36-17(3)32)9-24-27(20,6)12-23(37-18(4)33)21-11-28(21,24)14-35-16(2)31/h7,19,21-25H,8-14H2,1-6H3/t19-,21?,22-,23-,24+,25+,26-,27+,28+/m1/s1

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InChIKey

WXOXKGLRHFVTBW-UNBAKMIOSA-N

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PubChem CID

163191303

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WXOXKGLRHFVTBW-UNBAKMIOSA-N

(Q105314804)

(2R)-2-[(1aR,1bS,3R,3aR,5R,7bR,9R)-3,9-bis(acetyloxy)-1a-[(acetyloxy)methyl]-5,7b-dimethyl-1H,1bH,2H,3H,3aH,4H,6H,8H,9H,9aH-cyclopropa[a]phenanthren-5-yl]-2-bromoethyl acetate

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