(Q105167521)

English

3-[[(4aR,5S,6S,7R,8aR)-5-[(3S)-5-acetyloxy-3-(acetyloxymethyl)pentyl]-7-hydroxy-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]-3-oxopropanoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

clerodane diterpenoid

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mass

510.282882924 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₂O₉

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canonical SMILES

O=C(O)CC(=O)OCC1=CCCC2C1(C)CC(O)C(C)C2(C)CCC(COC(=O)C)CCOC(=O)C

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isomeric SMILES

CC(=O)OCC[C@H](CC[C@]1(C)[C@H](C)[C@H](O)C[C@@]2(C)C(COC(=O)CC(=O)O)=CCC[C@H]12)COC(C)=O

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found in taxon

Baccharis trimera

1 reference

stated in

ent-clerodanes and other constituents from bolivian Baccharis species

Identifiers

InChI

InChI=1S/C27H42O9/c1-17-22(30)14-27(5)21(16-36-25(33)13-24(31)32)7-6-8-23(27)26(17,4)11-9-20(15-35-19(3)29)10-12-34-18(2)28/h7,17,20,22-23,30H,6,8-16H2,1-5H3,(H,31,32)/t17-,20 ,22-,23-,26-,27 /m1/s1

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InChIKey

MMBVEWKIJKMBGB-XILKNQBRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MMBVEWKIJKMBGB-XILKNQBRSA-N

(Q105167521)

3-[[(4aR,5S,6S,7R,8aR)-5-[(3S)-5-acetyloxy-3-(acetyloxymethyl)pentyl]-7-hydroxy-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]-3-oxopropanoic acid

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Identifiers

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