(Q105178378)

English

(3aR)-2,10beta,11,11-Tetramethyl-3-oxo-10abeta-hydroxy-5-hydroxymethyl-8beta-(decanoyloxy)-9alpha-(tiglyloxy)-7,8-methano-3,3abeta,4,6aalpha,7beta,8,9,10,10a,10bbeta-decahydrobenzo[e]azulene

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

tigliane diterpenoid

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mass

584.371304004 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₂O₇

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canonical SMILES

O=C(OC1C(C)C2(O)C3C=C(C(=O)C3CC(=CC2C4C1(OC(=O)CCCCCCCCC)C4(C)C)CO)C)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@H]3C(=O)C(C)=C[C@H]32)[C@@H]2C(C)(C)[C@]12OC(=O)CCCCCCCCC

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found in taxon

Croton tiglium

1 reference

stated in

Cytotoxic phorbol esters of Croton tiglium

Identifiers

InChI

InChI=1S/C35H52O7/c1-8-10-11-12-13-14-15-16-28(37)42-35-30(33(35,6)7)27-19-24(20-36)18-25-26(17-22(4)29(25)38)34(27,40)23(5)31(35)41-32(39)21(3)9-2/h9,17,19,23,25-27,30-31,36,40H,8,10-16,18,20H2,1-7H3/b21-9+/t23-,25-,26-,27+,30-,31-,34+,35-/m1/s1

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InChIKey

NFCYJOSYKJZRIJ-UHNTWSMTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NFCYJOSYKJZRIJ-UHNTWSMTSA-N

1 reference

(Q105178378)

(3aR)-2,10beta,11,11-Tetramethyl-3-oxo-10abeta-hydroxy-5-hydroxymethyl-8beta-(decanoyloxy)-9alpha-(tiglyloxy)-7,8-methano-3,3abeta,4,6aalpha,7beta,8,9,10,10a,10bbeta-decahydrobenzo[e]azulene

Statements

Identifiers

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