(Q105147346)

English

[(2R,4S,4aR,6R,7S,8aR)-2,7-dihydroxy-4-[(3R)-3-hydroxy-3-methylpent-4-enyl]-8,8-dimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-4a-yl]methyl (2R)-2-methylbutanoate

chemical compound

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Statements

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type of chemical entity

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subclass of

[2,7-dihydroxy-4-(3-hydroxy-3-methylpent-4-enyl)-8,8-dimethyl-6-(2-methylbut-2-enoyloxy)-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-4a-yl]methyl 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

520.340003876 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₇

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canonical SMILES

O=C(OC1CC2(COC(=O)C(C)CC)C(C(=C)C(O)CC2C(C)(C)C1O)CCC(O)(C=C)C)C(=CC)C

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isomeric SMILES

C=C[C@](C)(O)CC[C@@H]1C(=C)[C@H](O)C[C@H]2C(C)(C)[C@H](O)[C@H](OC(=O)/C(C)=C\C)C[C@]12COC(=O)[C@H](C)CC

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found in taxon

Waitzia acuminata

1 reference

stated in

Labdane derivatives and other constituents from Waitzia acuminata

Identifiers

InChI

InChI=1S/C30H48O7/c1-10-18(4)26(33)36-17-30-16-23(37-27(34)19(5)11-2)25(32)28(7,8)24(30)15-22(31)20(6)21(30)13-14-29(9,35)12-3/h11-12,18,21-25,31-32,35H,3,6,10,13-17H2,1-2,4-5,7-9H3/b19-11-/t18-,21-,22-,23-,24+,25-,29+,30+/m1/s1

0 references

InChIKey

KXHZCFPKKKKXCN-OBCMKCMOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KXHZCFPKKKKXCN-OBCMKCMOSA-N

(Q105147346)

[(2R,4S,4aR,6R,7S,8aR)-2,7-dihydroxy-4-[(3R)-3-hydroxy-3-methylpent-4-enyl]-8,8-dimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-4a-yl]methyl (2R)-2-methylbutanoate

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