Spectrum VF-NPL-QEHF008465 for 14-(acetyloxy)-6-(furan-3-yl)-12-hydroxy-1,7,11,15,15-pentamethyl-5-oxo-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecan-18-yl acetate

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C30H40O8/c1-15(31)36-21-13-20(33)28(6)18-8-10-27(5)23(17-9-11-35-14-17)24(34)25-30(27,38-25)29(18,7)22(37-16(2)32)12-19(28)26(21,3)4/h9,11,14,18-23,25,33H,8,10,12-13H2,1-7H3
C30H40O8
528.27231824
O=C(OC1CC(O)C2(C)C(CC(OC(=O)C)C3(C)C2CCC4(C)C(C(=O)C5OC543)C6=COC=C6)C1(C)C)C
PVCLMZBWMWIHKX-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
45HCD
[M+Na]+
MX_C2_621_p11_C05_POS_QEHF_542.raw
18
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.740682134419455
0.7670986018488432
551.2615356445312
1.0024197827069805 ppm
-5.525954687755075E-4 Da