(Q105339640)

English

[(3S)-5-[(1S,4aR,8aS)-5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]-3-methylpentyl] (3S)-5-[(1S,4aR,8aS)-5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

608.480460528 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₆₄O₄

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canonical SMILES

O=C(OCCC(C)CCC1C(=C)CCC2C(C(=O)CCC12C)(C)C)CC(C)CCC3C(=C)CCC4C(C(=O)CCC34C)(C)C

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isomeric SMILES

C=C1CC[C@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@H](C)CCOC(=O)C[C@@H](C)CC[C@H]1C(=C)CC[C@H]2C(C)(C)C(=O)CC[C@@]12C

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found in taxon

Moldenhawera nutans

1 reference

stated in

A bis-labdenic diterpene from Moldenhawera nutans

Identifiers

InChI

InChI=1S/C40H64O4/c1-26(11-15-30-28(3)13-17-32-37(5,6)34(41)19-22-39(30,32)9)21-24-44-36(43)25-27(2)12-16-31-29(4)14-18-33-38(7,8)35(42)20-23-40(31,33)10/h26-27,30-33H,3-4,11-25H2,1-2,5-10H3/t26-,27-,30-,31-,32-,33-,39-,40-/m0/s1

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InChIKey

XQDCOJOGYBLPKT-UYQUZLKHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XQDCOJOGYBLPKT-UYQUZLKHSA-N

(Q105339640)

[(3S)-5-[(1S,4aR,8aS)-5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]-3-methylpentyl] (3S)-5-[(1S,4aR,8aS)-5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoate

Statements

Identifiers

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