(Q104252954)

English

CID 56928145

group of stereoisomers with the chemical formula C₃₃H₄₄O₉

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Statements

instance of

group of stereoisomers

0 references

subclass of

jatrophane diterpenoid

1 reference

inferred from

jatrophane diterpenoid

mass

584.298532988 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₄O₉

0 references

canonical SMILES

O=C(OC1C2C=C(C)C(OC(=O)C)CC(OC(=O)C)C(C=CC(C)C(OC(=O)C)C2(O)CC1C)(C)C)C=3C=CC=CC3

0 references

isomeric SMILES

CC(=O)OC1CC(OC(C)=O)C(C)(C)/C=C\C(C)C(OC(C)=O)C2(O)CC(C)C(OC(=O)c3ccccc3)C2/C=C/1C

1 reference

based on heuristic

inferred from InChI

found in taxon

Euphorbia helioscopia

1 reference

stated in

Cytotoxic macrocyclic diterpenoids from Euphorbia helioscopia

Identifiers

InChI

InChI=1S/C33H44O9/c1-19-14-15-32(7,8)28(40-23(5)35)17-27(39-22(4)34)20(2)16-26-29(42-31(37)25-12-10-9-11-13-25)21(3)18-33(26,38)30(19)41-24(6)36/h9-16,19,21,26-30,38H,17-18H2,1-8H3/b15-14-,20-16+

0 references

InChIKey

BRVXVMOWTHQKHC-HIAHFQITSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

BRVXVMOWTHQKHC-HIAHFQITSA-N

ChEBI ID

181943

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C33H44O9/c1-19-14-15-32(7,8)28(40-23(5)35)17-27(39-22(4)34)20(2)16-26-29(42-31(37)25-12-10-9-11-13-25)21(3)18-33(26,38)30(19)41-24(6)36/h9-16,19,21,26-30,38H,17-18H2,1-8H3/b15-14-,20-16+

(Q104252954)

CID 56928145

Statements

Identifiers

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