(Q104992170)

English

[(1S,3R,5R,6aS,7R,8S,9R,10R,10aR)-1,3-diacetyloxy-9,10-dihydroxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] butanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[1,3-Diacetyloxy-9,10-dihydroxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] butanoate

1 reference

based on heuristic

inferred from SMILES

mass

520.26723286 dalton

1 reference

1 reference

C₂₈H₄₀O₉

0 references

canonical SMILES

O=C(OC1OC(OC(=O)C)C23C1=CC(OC(=O)CCC)CC2C(C)(CCC(=C)C=C)C(C)C(O)C3O)C

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isomeric SMILES

C=CC(=C)CC[C@@]1(C)[C@H](C)[C@@H](O)[C@H](O)[C@]23C(=C[C@H](OC(=O)CCC)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O

0 references

found in taxon

Casearia nigrescens

1 reference

stated in

Cytotoxic clerodane diterpenoids and their hydrolysis products from Casearia nigrescens from the rainforest of Madagascar

Identifiers

InChI

InChI=1S/C28H40O9/c1-8-10-22(31)36-19-13-20-25(34-17(5)29)37-26(35-18(6)30)28(20)21(14-19)27(7,12-11-15(3)9-2)16(4)23(32)24(28)33/h9,13,16,19,21,23-26,32-33H,2-3,8,10-12,14H2,1,4-7H3/t16-,19+,21+,23-,24+,25+,26-,27+,28+/m1/s1

0 references

InChIKey

FACSSBRLFWVHQA-SQLCIADOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FACSSBRLFWVHQA-SQLCIADOSA-N

(Q104992170)

[(1S,3R,5R,6aS,7R,8S,9R,10R,10aR)-1,3-diacetyloxy-9,10-dihydroxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] butanoate

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Identifiers

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